SCHEMBL4333553

SCHEMBL4333553

CC(N)c1ccc(N(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
APP P05067 5/20 0.36
KCNH2 Q12809 2/20 0.36
KDM1A O60341 1/20 0.34
MAP3K11 Q16584 1/20 0.33
PDE2A O00408 1/20 0.32
TDO2 P48775 1/20 0.32
ADK P55263 1/20 0.31
MAPT P10636 1/20 0.31
MET P08581 1/20 0.31
GAA P10253 1/20 0.31
CIT O14578 1/20 0.31

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
SCHEMBL12089777 0.83 APP (0.38) APPKCNH2KDM1AMAP3K11TDO2
SCHEMBL24784713 0.80 APP (0.36) APPKCNH2KDM1AMAP3K11TDO2
SCHEMBL3382791 0.78 KDM1A (0.40) KCNH2KDM1AADKGAA
SCHEMBL11989533 0.77 APP (0.34) APPKCNH2KDM1AMAP3K11TDO2
SCHEMBL14239256 0.77 KCNH2 (0.37) APPKCNH2GAA
Hydrochloric Acid SCHEMBL9670828 0.77 KCNH2 (0.35) APPKCNH2KDM1AMAP3K11ADK
SCHEMBL27296333 0.77 KDM4C (0.36) ADRB2APPTDO2
SCHEMBL27512329 0.76 PSEN1 (0.38) APPKCNH2MAP3K11TDO2
SCHEMBL27512330 0.76 KCNH2 (0.36) APPKCNH2KDM1AMAP3K11TDO2
Hydrochloric Acid SCHEMBL31473368 0.76 KDM4C (0.36) ADRB2APPTDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed
WO-2020035065-A1 PYRAZOLE DERIVATIVE AS RET INHIBITOR 南京明德新药研发有限公司 2020-02-20 WO disclosed
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 US disclosed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP disclosed
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS GENENTECH, INC. (US) 2015-07-09 US disclosed
US-8846945-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists DILLON MICHAEL PATRICK (US) 2014-09-30 US disclosed
EP-2592070-A2 Tetrazole-substituted arylamides F. Hoffmann-La Roche AG (CH) 2013-05-15 EP disclosed
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS DILLON MICHAEL PATRICK (US) 2012-08-23 US disclosed
US-8193368-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-06-05 US disclosed
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists DILLON MICHAEL PATRICK 2009-12-31 US disclosed
US-7595405-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2009-09-29 US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 US disclosed
US-20070203134-A1 Benzimidazole Acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-30 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 (7 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-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS P2RX2, P2RX3, TPX2 ADRB2 489/4885APP 2790/4885KCNH2 1361/4885
US-20070203134-A1 Benzimidazole Acetonitriles PKD1, GPR119, CCNI ADRB2 2271/4885APP 3234/4885KCNH2 575/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 ADRB2 247/4885APP 2098/4885KCNH2 428/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 ADRB2 464/4885APP 2723/4885KCNH2 1274/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 ADRB2 247/4885APP 2098/4885KCNH2 428/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 ADRB2 247/4885APP 2098/4885KCNH2 428/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 ADRB2 247/4885APP 2098/4885KCNH2 428/4885

“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.