Sugi Predict

Sugi Predict / Compounds / SCHEMBL10244895

SCHEMBL10244895

SCHEMBL10244895

Cc1ccc(-c2cc(C(=O)NC(C)c3ccncc3)cc(-n3nnnc3C(C)C)c2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 5/20 0.47
▸ P2RX2 Q9UBL9 5/20 0.47
▸ ROCK1 Q13464 4/20 0.42
▸ RPS6KA5 O75582 3/20 0.42
▸ PRKACA P17612 3/20 0.42
▸ RPS6KB1 P23443 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ AKT1 P31749 3/20 0.42
▸ GSK3A P49840 3/20 0.42
▸ GSK3B P49841 3/20 0.42
▸ RPS6KA3 P51812 3/20 0.42
▸ PRKX P51817 3/20 0.42
▸ PRKCD Q05655 3/20 0.42
▸ PRKG2 Q13237 3/20 0.42
▸ PRKG1 Q13976 3/20 0.42
▸ PKN2 Q16513 3/20 0.42
▸ CDC42BPA Q5VT25 3/20 0.42
▸ CLK4 Q9HAZ1 3/20 0.42
▸ SGK2 Q9HBY8 3/20 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
SCHEMBL10244716 0.91 P2RX3 (0.48) P2RX3P2RX2ROCK1RPS6KA5PRKACA
SCHEMBL10244883 0.90 P2RX3 (0.46) P2RX3P2RX2ROCK1RPS6KA5PRKACA
SCHEMBL10245880 0.88 P2RX3 (0.53) P2RX3P2RX2ROCK1RPS6KA5PRKACA
SCHEMBL10244559 0.88 P2RX3 (0.45) P2RX3P2RX2CYP2C9
SCHEMBL10244250 0.87 P2RX3 (0.63) P2RX3P2RX2
SCHEMBL10243762 0.87 P2RX3 (0.63) P2RX3P2RX2
SCHEMBL18166394 0.87 ROCK1 (0.38) P2RX3P2RX2ROCK1RPS6KA5PRKACA
SCHEMBL10244892 0.86 P2RX3 (0.50) P2RX3P2RX2CYP2C9
SCHEMBL10243796 0.86 P2RX3 (0.48) P2RX3P2RX2ROCK1RPS6KA5PRKACA
SCHEMBL10244871 0.86 HDAC1 (0.51) P2RX3P2RX2ALDH1A1CYP3A4KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 — — US disclosed
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS GENENTECH, INC. (US) 2015-07-09 — — US 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
US-8846945-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists DILLON MICHAEL PATRICK (US) 2014-09-30 — — US disclosed
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS DILLON MICHAEL PATRICK (US) 2012-08-23 — — US 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-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-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-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-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 P2RX3 2/4885P2RX2 1/4885ROCK1 3309/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 P2RX3 1/4885P2RX2 2/4885ROCK1 4785/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 P2RX3 2/4885P2RX2 1/4885ROCK1 3301/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 P2RX3 1/4885P2RX2 2/4885ROCK1 4785/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 P2RX3 1/4885P2RX2 2/4885ROCK1 4785/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 P2RX3 1/4885P2RX2 2/4885ROCK1 4785/4885

“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.