SCHEMBL2531188

SCHEMBL2531188

Cc1cc(N2CCOCC2)nc(Cl)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
CRHBP P24387 2/20 0.66
CRHR2 Q13324 2/20 0.66
NPSR1 Q6W5P4 2/20 0.59
HRH4 Q9H3N8 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
MEN1 O00255 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 2/20 0.51
HTT P42858 2/20 0.51
PKM P14618 1/20 0.51
PIK3CB P42338 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL856718 0.87 MAPT (0.61) KMT2ACRHBPCRHR2NPSR1HRH4
Ammonia Solution, Strong SCHEMBL28615378 0.84 KMT2A (0.70) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL3405363 0.84 CRHBP (0.61) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL913213 0.83 KMT2A (0.63) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL5788649 0.82 KMT2A (0.72) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL3410886 0.82 CRHBP (0.64) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL856815 0.82 MAPT (0.70) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL29762330 0.82 MAPT (0.70) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL9884923 0.81 HRH4 (0.64) KMT2ANPSR1HRH4PKMKDM4E
SCHEMBL13326955 0.81 KMT2A (1.00) KMT2ACRHBPCRHR2NPSR1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4180436-A1 TRICYCLIC PYRIMIDINONE COMPOUND, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF Neusco Biotech Limited (CN) 2023-05-17 EP disclosed
EP-3458067-B1 TREATMENT OF NEUROLOGICAL DISORDERS PIQUR THERAPEUTICS AG (CH) 2020-12-30 EP disclosed
EP-3565810-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2019-11-13 EP disclosed
WO-2019101853-A1 TREATMENT OF SKIN DISORDERS PIQUR THERAPEUTICS AG (CH) 2019-05-31 WO disclosed
WO-2018127801-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-07-12 WO disclosed
WO-2017198346-A1 TREATMENT OF NEUROLOGICAL DISORDERS PIQUR THERAPEUTICS AG (CH) 2017-11-23 WO disclosed
WO-2017198347-A1 TREATMENT OF SKIN LESIONS PIQUR THERAPEUTICS AG (CH) 2017-11-23 WO disclosed
EP-2250998-B1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN SHISEIDO CO LTD (JP) 2016-04-13 EP disclosed
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
US-8563552-B2 Whitening agent and skin external preparation SHISEIDO COMPANY LTD. (JP) 2013-10-22 US disclosed
US-7589197-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-09-15 US disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 EP disclosed
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
CN-1142817-A 1N-alkyl-N-arylpyrimidinamines and derivatives thereof DU PONT MERCK PHARMA (US) 1997-02-12 CN disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 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 (2 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-20090143302-A1 PYRIMIDINE COMPOUNDS TYMS, TYMP, HPRT1 KMT2A 2400/4885CRHBP 4465/4885CRHR2 4573/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB KMT2A 2755/4885CRHBP 1631/4885CRHR2 4227/4885

“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.