SCHEMBL54966

SCHEMBL54966

Nc1ccc(CN2CCCC2)cc1

nearest known ligand 0.96

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.96
HRH3 Q9Y5N1 3/20 0.74
LMNA P02545 1/20 0.68
HRH4 Q9H3N8 1/20 0.65
KDM4E B2RXH2 2/20 0.63
MBTD1 Q05BQ5 1/20 0.61
L3MBTL3 Q96JM7 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
NCF1 P14598 1/20 0.57
CXCR4 P61073 2/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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 SCHEMBL5521932 0.98 ALDH1A1 (0.92) ALDH1A1HRH3LMNAHRH4KDM4E
SCHEMBL10616916 0.98 ALDH1A1 (1.00) ALDH1A1HRH3LMNAHRH4KDM4E
SCHEMBL62541 0.98 ALDH1A1 (1.00) ALDH1A1HRH3LMNAHRH4KDM4E
SCHEMBL3156543 0.98 ALDH1A1 (1.00) ALDH1A1HRH3LMNAHRH4KDM4E
Hydrochloric Acid SCHEMBL5529448 0.98 ALDH1A1 (0.92) ALDH1A1HRH3LMNAHRH4KDM4E
Hydrochloric Acid SCHEMBL7480275 0.96 ALDH1A1 (0.96) ALDH1A1HRH3LMNAHRH4KDM4E
SCHEMBL3153045 0.95 ALDH1A1 (0.88) ALDH1A1HRH3LMNAHRH4KDM4E
SCHEMBL10690328 0.91 LMNA (0.80) ALDH1A1HRH3LMNAHRH4KDM4E
SCHEMBL11201497 0.88 HRH3 (0.94) ALDH1A1HRH3HRH4KDM4EMBTD1
Hydrochloric Acid SCHEMBL11196296 0.85 HRH3 (0.90) ALDH1A1HRH3HRH4KDM4EMBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US claimed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US claimed
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 US claimed
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 WO disclosed
WO-1999051590-A1 SUBSTITUTED INDOLINONES AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-14 WO disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 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 (4 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-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 ALDH1A1 1306/4885HRH3 3778/4885LMNA 1562/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 ALDH1A1 3576/4885HRH3 246/4885LMNA 4540/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 ALDH1A1 924/4885HRH3 1681/4885LMNA 3244/4885
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors CCNC, CDK1, CDK7 ALDH1A1 4215/4885HRH3 211/4885LMNA 1489/4885

“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.