SCHEMBL188773

SCHEMBL188773

CN1Cc2ccc(N)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
RAD52 P43351 1/20 0.43
HSD17B3 P37058 1/20 0.42
ADRA2C P18825 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
PTK2B Q14289 1/20 0.42
ESR2 Q92731 1/20 0.42
PDK2 Q15119 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H2 P55055 2/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40

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 SCHEMBL30065224 0.98 MAPT (0.46) KDM4EMAPTRAD52HSD17B3ADRA2C
Hydrochloric Acid SCHEMBL3572065 0.98 MAPT (0.46) KDM4EMAPTRAD52HSD17B3ADRA2C
Hydrochloric Acid SCHEMBL17797599 0.98 MAPT (0.46) KDM4EMAPTRAD52HSD17B3ADRA2C
SCHEMBL17797680 0.85 HSD17B3 (0.40) KDM4EMAPTRAD52HSD17B3ADRA2C
SCHEMBL188753 0.85 MAOA (0.55) KDM4EMAPTRAD52ADRA2CNR1H2
SCHEMBL29506615 0.85 MAOA (0.55) KDM4EMAPTRAD52ADRA2CNR1H2
Hydrochloric Acid SCHEMBL4513459 0.84 MAOA (0.57) KDM4EMAPTRAD52ADRA2CNR1H2
SCHEMBL218317 0.84 MAOA (0.59) HSD17B3NR1H2MAOAMAOBDRD1
SCHEMBL30561544 0.84 MAOA (0.59) HSD17B3NR1H2MAOAMAOBDRD1
SCHEMBL1951275 0.82 DRD1 (0.49) KDM4EMAPTRAD52NR1H2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438066-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a]PYRIDINE DERIVATIVES Cephalon, Inc. (US) 2012-04-11 EP claimed
WO-2010141796-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a] PYRIDINE DERIVATIVES CEPHALON, INC. (US) 2010-12-09 WO claimed
EP-4558493-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE Iambic Therapeutics, Inc. (US) 2025-05-28 EP disclosed
CN-119894880-A Quinazoline compounds and methods of use 依安彼克医疗有限公司 2025-04-25 CN disclosed
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
WO-2024240155-A1 DIKETONE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州大学 2024-11-28 WO disclosed
CN-118994100-A Diketone compound and preparation method and application thereof 苏州大学 2024-11-22 CN disclosed
EP-3661918-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS LLC (US) 2024-05-08 EP disclosed
US-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. 2024-03-21 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
US-7091345-B2 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-15 US disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
EP-1560831-A1 NOVEL AMINO-SUBSTITUTED DIHYDROPYRIMIDO [4,5-D] PYRIMIDIN ONE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
WO-2004041823-A1 NOVEL AMINO-SUBSTITUTED DIHYDROPYRIMIDO[4,5-D]PYRIMIDINONE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
US-20040087600-A1 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives HOFFMANN-LA ROCHE INC. 2004-05-06 US disclosed
US-5374643-A Aryl urea (thiourea) and cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1994-12-20 US disclosed
EP-0587180-A2 Aryl urea (Thiourea) and cyanoguanidine derivatives E.R. SQUIBB & SONS, INC. (US) 1994-03-16 EP 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 (3 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-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE CCNI, CDK3, CDK1 KDM4E 2753/4885MAPT 3577/4885RAD52 678/4885
US-20040087600-A1 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives SRC, ABL1, LCK KDM4E 969/4885MAPT 2895/4885RAD52 3922/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 KDM4E 1997/4885MAPT 3283/4885RAD52 3335/4885

“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.