SCHEMBL9034264

SCHEMBL9034264

N#Cc1[nH]c2ccccc2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
GPR3 P46089 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 3/20 0.42
EGFR P00533 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SRC P12931 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL2464667 0.78 PDE9A (0.49) ALDH1A1HSD17B10GPR3DRD2DRD4
SCHEMBL29635217 0.78 PDE9A (0.49) ALDH1A1HSD17B10GPR3DRD2DRD4
SCHEMBL20505152 0.76 ALDH1A1 (0.44) ALDH1A1HSD17B10GPR3DRD2DRD4
SCHEMBL3680016 0.76 AHR (0.55) ALDH1A1HSD17B10GPR3DRD2DRD4
SCHEMBL16156592 0.76 ALDH1A1 (0.44) ALDH1A1HSD17B10GPR3DRD2DRD4
SCHEMBL8588245 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10GPR3DRD2DRD4
SCHEMBL2731190 0.76 DRD2 (0.47) ALDH1A1HSD17B10GPR3DRD2DRD4
SCHEMBL1029936 0.76 MAPT (0.44) ALDH1A1HSD17B10GPR3KDM4ESMN1; SMN2
SCHEMBL15486057 0.74 CSNK2A1 (0.44) ALDH1A1KDM4EDYRK1AHPGDLMNA
SCHEMBL1622669 0.74 PDE9A (0.62) ALDH1A1HSD17B10GPR3KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135809-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-09 US disclosed
US-20170305906-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 US disclosed
US-9701676-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-07-11 US disclosed
EP-2887803-A1 PRO-NEUROGENIC COMPOUNDS Board of Regents of the University of Texas System (US) 2015-07-01 EP disclosed
US-20140057900-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 US disclosed
WO-2014031986-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 WO disclosed
WO-2012131297-A1 PYRIDO [3',2' :4,5] THIENO [3, 2-D] PYRIMIDIN- 4 - YLAMINE DERIVATIVES AND THEIR THERAPEUTICAL USE BAELL JONATHAN BAYLDON (AU) 2012-10-04 WO disclosed
WO-2012131297-A1 PYRIDO [3',2' :4,5] THIENO [3, 2-D] PYRIMIDIN- 4 - YLAMINE DERIVATIVES AND THEIR THERAPEUTICAL USE BAELL JONATHAN BAYLDON (AU) 2012-10-04 WO disclosed
EP-0439796-B1 Indolylpropanols, process for their preparation, and their use and preparations containing them BEIERSDORF LILLY GMBH (DE) 1996-01-24 EP disclosed
US-5145849-A Inotropic and antiarrythmia agents; sodium channel inhibitors BEIERSDORF AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed
EP-0439796-A2 Indolylpropanols, process for their preparation, and their use and preparations containing them Beiersdorf-Lilly GmbH (DE) 1991-08-07 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-20140057900-A1 Pro-Neurogenic Compounds BDNF, NES, DCX ALDH1A1 1252/4885HSD17B10 1152/4885GPR3 1899/4885
US-20190135809-A1 Pro-Neurogenic Compounds BDNF, NES, DCX ALDH1A1 1252/4885HSD17B10 1152/4885GPR3 1899/4885
US-20170305906-A1 Pro-Neurogenic Compounds BDNF, NES, DCX ALDH1A1 1252/4885HSD17B10 1152/4885GPR3 1899/4885

“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.