SCHEMBL447560

SCHEMBL447560

[c]1ccc(CN2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.71
HRH4 Q9H3N8 1/20 0.63
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 2/20 0.61
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
NCF1 P14598 1/20 0.55
MBTD1 Q05BQ5 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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 1.00 HRH3 (0.71) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL28282914 0.98 HRH3 (0.68) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL738784 0.98 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL7356340 0.93 HRH3 (0.60) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL27745775 0.90 HRH3 (0.57) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL4277270 0.84 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7468055 0.81 HRH3 (0.95) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL18227661 0.81 CHKA (0.70) HRH3ALDH1A1KDM4ENCF1POLB
SCHEMBL11201497 0.81 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4ECYP2D6
Water SCHEMBL28324406 0.80 SIGMAR1 (0.74) HRH3HRH4ALDH1A1KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237407-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2017-11-01 EP claimed
CN-107250116-A 3,5 diamino-pyrazole kinase inhibitors 埃克希金医药品有限公司 2017-10-13 CN claimed
US-9730914-B2 3,5-diaminopyrazole kinase inhibitors Axikin Pharmaceuticals (US) 2017-08-15 US claimed
CN-106636043-A Preparation method of protease 广州立白企业集团有限公司 2017-05-10 CN claimed
US-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-30 US claimed
US-9546163-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-17 US claimed
WO-2016106309-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-30 WO claimed
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2016-06-23 US claimed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP claimed
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP claimed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US claimed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US claimed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP claimed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO claimed
US-5616711-A REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS FUJIREBIO INC. (JP) 1997-04-01 US claimed
EP-0582304-A2 Methods of producing amino butene derivatives FUJIREBIO Inc. (JP) 1994-02-09 EP claimed
EP-0150073-B1 3,4-DISUBSTITUTED-1,2,5-OXADIAZOLES HAVING HISTAMINE H2-RECEPTOR ANTAGONIST ACTIVITY Bristol-Myers Squibb Company (US) 1990-09-26 EP claimed
US-4772704-A ANTIULCER AGENTS BRISTOL-MYERS COMPANY (US) 1988-09-20 US claimed
EP-0150073-A1 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2-receptor antagonist activity Bristol-Myers Squibb Company (US) 1985-07-31 EP claimed
US-4507485-A 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2 -receptor antagonist activity BRISTOL-MYERS COMPANY (US) 1985-03-26 US 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 HRH3 1248/4885HRH4 848/4885ALDH1A1 2744/4885
US-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 HRH3 2223/4885HRH4 1541/4885ALDH1A1 2717/4885
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 HRH3 2223/4885HRH4 1541/4885ALDH1A1 2717/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP HRH3 3252/4885HRH4 1608/4885ALDH1A1 708/4885

“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.