SCHEMBL738784

SCHEMBL738784

[c]1ccc(CN2CCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.67
HRH4 Q9H3N8 1/20 0.59
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
NCF1 P14598 1/20 0.57
MBTD1 Q05BQ5 1/20 0.55
L3MBTL3 Q96JM7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
CXCR4 P61073 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL996532 0.98 HRH3 (0.71) HRH3HRH4ALDH1A1KDM4ENCF1
SCHEMBL447560 0.98 HRH3 (0.71) HRH3HRH4ALDH1A1KDM4ENCF1
SCHEMBL28282914 0.96 HRH3 (0.68) HRH3HRH4ALDH1A1KDM4ENCF1
SCHEMBL7356340 0.95 HRH3 (0.60) HRH3HRH4ALDH1A1KDM4ENCF1
SCHEMBL27745775 0.92 HRH3 (0.57) HRH3HRH4ALDH1A1KDM4ENCF1
SCHEMBL18227661 0.83 CHKA (0.70) HRH3ALDH1A1KDM4ENCF1POLB
SCHEMBL11201497 0.83 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4ENCF1
SCHEMBL2475809 0.81 ALDH1A1 (0.63) HRH3ALDH1A1KDM4ENCF1POLB
SCHEMBL2971636 0.81 KDM4E (0.61) HRH3ALDH1A1KDM4EL3MBTL1POLB
SCHEMBL742562 0.81 MC4R (0.66) HRH3ALDH1A1KDM4ENCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 US claimed
CN-114787160-A Imidazopyridazines and imidazopyridines as activin receptor-like kinase-2 inhibitors 因赛特公司 2022-07-22 CN claimed
EP-3898627-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE-2 Incyte Corporation (US) 2021-10-27 EP claimed
US-20210246137-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-08-12 US claimed
WO-2020132197-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE-2 INCYTE CORPORATION (US) 2020-06-25 WO claimed
US-20200199131-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-06-25 US claimed
US-20190315740-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-10-17 US claimed
EP-3526220-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2019-08-21 EP claimed
WO-2018071836-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-04-19 WO claimed
EP-3237407-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2017-11-01 EP claimed
US-6353017-B1 INHIBITORS OF CATHESPINS USING DIPEPTIDE NITRILES AS ANTIINFLAMMATORY AGENTS AND ANTIARTHRITIC AGENTS NOVARTIS AG (CH) 2002-03-05 US claimed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO claimed
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US claimed
WO-1999051590-A1 SUBSTITUTED INDOLINONES AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-14 WO claimed
EP-0666851-A4 SUBSTITUTED PHTHALAZINONES AS NEROTENSIN ANTAGONISTS. 1995-08-30 EP claimed
EP-0666851-A1 SUBSTITUTED PHTHALAZINONES AS NEROTENSIN ANTAGONISTS MERCK & CO. INC. (US) 1995-08-16 EP claimed
WO-1994010151-A1 SUBSTITUTED PHTHALAZINONES AS NEROTENSIN ANTAGONISTS MERCK & CO., INC. (US) 1994-05-11 WO claimed
EP-0589985-A1 2-AMINO-4-ARYL-THIAZOLES WITH ANTIASTHMATIC AND ANTI-INFLAMMATORY ACTIVITIES ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1994-04-06 EP claimed
WO-1993000342-A1 2-AMINO-4-ARYL-THIAZOLES WITH ANTIASTHMATIC AND ANTI-INFLAMMATORY ACTIVITIES ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-01-07 WO claimed
EP-0519449-A1 2-Amino-4-aryl thiazoles with antiasthmatic and antiinflammatory activities on the respiratory tract BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-23 EP claimed

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-20190315740-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE PLK1, AURKB, AURKA HRH3 2850/4885HRH4 2541/4885ALDH1A1 1041/4885
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite PLK1, HSP90B1, CEP170 HRH3 2849/4885HRH4 2369/4885ALDH1A1 1866/4885
US-20200199131-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF ALK, ABL2, ACVR2A HRH3 1130/4885HRH4 564/4885ALDH1A1 25/4885
US-20210246137-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE PLK1, HSP90B1, CEP170 HRH3 2849/4885HRH4 2369/4885ALDH1A1 1866/4885

“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.