SCHEMBL4328494

SCHEMBL4328494

CC(N)c1ccc(N)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.48
NOS2 P35228 2/20 0.48
ADRB2 P07550 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38

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
SCHEMBL14647750 1.00 NOS3 (0.48) NOS3NOS2ADRB2KDM4EHSD17B10
Hydrochloric Acid SCHEMBL23201276 0.98 NOS3 (0.46) NOS3NOS2ADRB2KDM4EHSD17B10
Hydrochloric Acid SCHEMBL30929411 0.98 NOS3 (0.46) NOS3NOS2ADRB2KDM4EHSD17B10
SCHEMBL31222667 0.84 NOS3 (0.50) NOS3NOS2KDM4EHSD17B10GABRP
SCHEMBL83975 0.84 NOS3 (0.50) NOS3NOS2KDM4EHSD17B10GABRP
SCHEMBL27461381 0.80 NOS3 (0.46) NOS3NOS2KDM4EHSD17B10GABRP
SCHEMBL23478507 0.80 NOS3 (0.46) NOS3NOS2KDM4EHSD17B10GABRP
SCHEMBL6469008 0.80 NOS3 (0.46) NOS3NOS2ADRB2KDM4EHSD17B10
SCHEMBL28026318 0.80 NOS3 (0.46) NOS3NOS2KDM4EHSD17B10GABRP
SCHEMBL24703386 0.78 NOS3 (0.45) NOS3NOS2KDM4EHSD17B10GABRP

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 17 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
CN-113717955-A Glucose biosensor, glucose sensing membrane thereof and glucose dehydrogenase 苏州中星医疗技术有限公司 2021-11-30 CN 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
EP-1937673-B1 IMIDAZOLE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI SA (FR) 2015-10-21 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
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO 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
WO-2008079346-A1 5-CYAN0-4- (PYRROLO [2, 3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-07-03 WO disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 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 (6 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 NOS3 4023/4885NOS2 3867/4885ADRB2 489/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 NOS3 2499/4885NOS2 4059/4885ADRB2 247/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 NOS3 4060/4885NOS2 3915/4885ADRB2 464/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 NOS3 2499/4885NOS2 4059/4885ADRB2 247/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 NOS3 2499/4885NOS2 4059/4885ADRB2 247/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 NOS3 2499/4885NOS2 4059/4885ADRB2 247/4885

“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.