SCHEMBL216229

SCHEMBL216229

CN(C)CCn1ccc2cc(N)ccc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.61
HTR2A P28223 3/20 0.61
PRKCI P41743 1/20 0.54
HTR1D P28221 8/20 0.50
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
HTR6 P50406 2/20 0.48
BPTF Q12830 1/20 0.46
EGFR P00533 1/20 0.43
BRPF1 P55201 1/20 0.42
NTSR1 P30989 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30411128 1.00 HTR2C (0.61) HTR2CHTR2APRKCIHTR1DNOS3
SCHEMBL6928247 0.91 PRKCI (0.51) HTR2CHTR2APRKCIHTR1DNOS3
SCHEMBL1122347 0.87 HTR2C (0.64) HTR2CHTR2AHTR1DNOS3NOS1
SCHEMBL30408910 0.84 SCN9A (0.55) HTR2CHTR2APRKCINOS3NOS1
SCHEMBL4007913 0.84 SCN9A (0.55) HTR2CHTR2APRKCINOS3NOS1
SCHEMBL4413691 0.83 PRKCI (0.50) HTR2CHTR2APRKCIHTR6EGFR
SCHEMBL16939364 0.82 HTR2C (0.63) HTR2CHTR2AHTR1DNOS3NOS1
SCHEMBL23902711 0.82 PRKCI (0.45) HTR2CHTR2APRKCIHTR1DNOS3
SCHEMBL30364649 0.82 PRKCI (0.45) HTR2CHTR2APRKCIHTR1DNOS3
SCHEMBL3650822 0.81 PRKCI (0.59) HTR2CHTR2APRKCIHTR6EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143773-B 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-07-21 CN disclosed
CN-116143773-A 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-05-23 CN disclosed
US-11248006-B2 Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2022-02-15 US disclosed
US-11007197-B2 EGFR modulators and uses thereof ACEA Therapeutics, Inc. (US) 2021-05-18 US disclosed
US-20200377520-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-12-03 US disclosed
US-20200129516-A1 NOVEL EGFR MODULATORS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2020-04-30 US disclosed
US-10596174-B2 Pyrrolopyrimidine compounds as inhibitors of protein kinases ACEA Therapeutics, Inc. (US) 2020-03-24 US disclosed
EP-3604306-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2020-02-05 EP disclosed
US-10449196-B2 EGFR modulators and uses thereof ACEA Therapeutics, Inc. (US) 2019-10-22 US disclosed
WO-2019037678-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海迪诺医药科技有限公司 2019-02-28 WO disclosed
WO-2005013977-A1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO disclosed
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-30 US disclosed
EP-1418906-A1 AMINOALKYL-SUBSTITUTED AROMATIC BICYCLIC COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2004-05-19 EP disclosed
EP-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
US-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-11-13 US disclosed
WO-2003015769-A1 AMINOALKYL-SUBSTITUTED AROMATIC BICYCLIC COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-27 WO disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10596174-B2 Pyrrolopyrimidine compounds as inhibitors of protein kinases BMX, BLK, ITK HTR2C 3035/4885HTR2A 3728/4885PRKCI 1022/4885
US-10449196-B2 EGFR modulators and uses thereof EGFR, ERBB2, ERBB3 HTR2C 1920/4885HTR2A 1556/4885PRKCI 142/4885
US-20200377520-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF WEE1, WEE2, PDPK1 HTR2C 2998/4885HTR2A 4484/4885PRKCI 705/4885
US-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC HTR2C 19/4885HTR2A 45/4885PRKCI 1977/4885
US-11007197-B2 EGFR modulators and uses thereof EGFR, ERBB2, ERBB3 HTR2C 1920/4885HTR2A 1556/4885PRKCI 142/4885
US-11248006-B2 Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof WEE1, WEE2, PDPK1 HTR2C 2998/4885HTR2A 4484/4885PRKCI 705/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC HTR2C 19/4885HTR2A 45/4885PRKCI 1977/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC HTR2C 19/4885HTR2A 45/4885PRKCI 1977/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC HTR2C 19/4885HTR2A 45/4885PRKCI 1977/4885
US-20200129516-A1 NOVEL EGFR MODULATORS AND USES THEREOF EGFR, ERBB2, ERBB3 HTR2C 2209/4885HTR2A 1905/4885PRKCI 159/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC HTR2C 19/4885HTR2A 45/4885PRKCI 1977/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.