SCHEMBL55931

SCHEMBL55931

CN(C)CCN(C)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.46
PSMD14 O00487 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
GFER P55789 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.42
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
F12 P00748 1/20 0.37

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
Hydrochloric Acid SCHEMBL3570619 0.98 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL16914897 0.93 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL3156561 0.87 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL10955815 0.84 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL1924408 0.82 TDP1 (0.52) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL4717774 0.82 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL23328283 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL9759914 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL1537864 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL8149499 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137703-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECH LIMITED (GB) 2026-05-21 US disclosed
US-20250352550-A1 SUBSTITUTED FUROPYRIDINES FOR THERAPEUTIC USE UNIV MASARYKOVA (CZ) 2025-11-20 US disclosed
EP-4612149-A1 PYRIDO[2,3-D]PYRIMIDIN-2-AMINE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
EP-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
EP-4602046-A1 SUBSTITUTED FUROPYRIDINES FOR THERAPEUTIC USE Masarykova Univerzita (CZ) 2025-08-20 EP disclosed
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-07-10 US disclosed
US-20250214945-A1 THIOBENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2025-07-03 US disclosed
US-20250136576-A1 Heterocyclic Compounds and Uses Thereof ACEA Therapeutics, Inc. (US) 2025-05-01 US disclosed
EP-4506346-A1 THIOBENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF Korea University Research and Business Foundation (KR) 2025-02-12 EP disclosed
EP-4504730-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 Dana-Farber Cancer Institute, Inc. (US) 2025-02-12 EP disclosed
US-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed
WO-2004012648-A2 SUBSTITUTED DIARYL HETEROCYCLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 WO disclosed
WO-2004011438-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-05 WO disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO disclosed
WO-2004009547-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
EP-1212318-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-06-12 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
WO-2001016130-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-08 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 (6 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-20260137703-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER EGFR, KRAS, O60361 ALDH1A1 999/4885CYP3A4 2558/4885TDP1 1531/4885
US-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments GPR119, GLP1R, SLC5A2 ALDH1A1 1096/4885CYP3A4 1988/4885TDP1 2489/4885
US-20250352550-A1 SUBSTITUTED FUROPYRIDINES FOR THERAPEUTIC USE FLT3, ROS1, MAP4K2 ALDH1A1 2094/4885CYP3A4 1714/4885TDP1 102/4885
US-20250214945-A1 THIOBENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF TTBK2, TUBB3, TUBB ALDH1A1 3214/4885CYP3A4 1715/4885TDP1 1885/4885
US-20250136576-A1 Heterocyclic Compounds and Uses Thereof CHEK2, CDK2, CDK1 ALDH1A1 1877/4885CYP3A4 2040/4885TDP1 1561/4885
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 EGFR, ERBB2, ERBB3 ALDH1A1 2954/4885CYP3A4 4714/4885TDP1 3122/4885

“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.