SCHEMBL793832

SCHEMBL793832

c1cc2cnc(N3CCNCC3)nc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.57
ALDH1A1 P00352 9/20 0.44
CYP1A2 P05177 8/20 0.44
CYP3A4 P08684 7/20 0.44
CYP2D6 P10635 3/20 0.44
HPGD P15428 3/20 0.44
TAAR1 Q96RJ0 1/20 0.43
ADRB1 P08588 1/20 0.43
HSD17B10 Q99714 7/20 0.43
CASP1 P29466 6/20 0.43
CASP7 P55210 6/20 0.43
MEN1 O00255 4/20 0.43
USP2 O75604 4/20 0.43
CYP2C9 P11712 4/20 0.43
KMT2A Q03164 4/20 0.43
HIF1A Q16665 3/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP2C19 P33261 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL654360 0.79 HTR2C (0.38) HTR2CALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL795485 0.75 ALDH1A1 (0.46) HTR2CALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11201044 0.73 HTR2C (0.70) HTR2CALDH1A1HPGDCASP1USP2
SCHEMBL6488308 0.72 ACVR1 (0.36) HTR2C
SCHEMBL6488314 0.72 ACVR1 (0.36) HTR2C
SCHEMBL1029333 0.71 HTR3A (0.67) HTR2CALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24165144 0.71 HTR2C (0.48) HTR2CALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL798319 0.71 CHEK1 (0.46) HTR2CALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30945083 0.70 ROCK2 (0.50) HTR2CALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL11205604 0.70 HTR2C (0.65) HTR2CALDH1A1KDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2022-06-16 US disclosed
WO-2020198526-A2 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-10-01 WO disclosed
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2016-06-02 US disclosed
US-9290511-B2 Thieno-pyrimidines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2016-03-22 US disclosed
US-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2014-12-18 US disclosed
US-20140357662-A1 THIENO (2,3 - C) PYRAZOLES FOR USE AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2014-12-04 US disclosed
EP-2780344-A1 THIENO [2, 3 - C]PYRAZOLES FOR USE AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP disclosed
EP-2780343-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP disclosed
WO-2013072693-A1 THIENO [2, 3 - C] PYRAZOLES FOR USE AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 WO disclosed
WO-2013072694-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 WO disclosed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO disclosed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 WO disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US 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 (5 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-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors KCNA3, KCNJ1, KCNJ11 HTR2C 1777/4885ALDH1A1 1630/4885CYP1A2 1211/4885
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 HTR2C 215/4885ALDH1A1 622/4885CYP1A2 427/4885
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS KCNA3, KCNJ1, KCNJ11 HTR2C 1881/4885ALDH1A1 1621/4885CYP1A2 1075/4885
US-20140357662-A1 THIENO (2,3 - C) PYRAZOLES FOR USE AS POTASSIUM CHANNEL INHIBITORS KCNA3, KCNK3, KCNJ1 HTR2C 1057/4885ALDH1A1 1174/4885CYP1A2 538/4885
US-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK PANK2, PANK1, PANK3 HTR2C 4329/4885ALDH1A1 4174/4885CYP1A2 4398/4885

“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.