SCHEMBL3244123

SCHEMBL3244123

Cc1cccc(-c2nn(C)cc2-c2ccnc3ccccc23)n1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 17/20 0.63
▸ MAPK14 Q16539 12/20 0.60
▸ THRB P10828 4/20 0.56
▸ GRM4 Q14833 2/20 0.46
▸ TGFBR2 P37173 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 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
SCHEMBL21239068 0.87 TGFBR1 (0.50) TGFBR1MAPK14THRBGRM4NPC1
SCHEMBL18642502 0.85 GRM4 (0.65) TGFBR1MAPK14THRBGRM4TGFBR2
SCHEMBL3247895 0.85 TGFBR1 (0.68) TGFBR1MAPK14THRBGRM4TGFBR2
SCHEMBL18030705 0.82 TGFBR1 (0.64) TGFBR1MAPK14THRBTGFBR2
SCHEMBL23410180 0.80 TGFBR1 (0.73) TGFBR1MAPK14THRB
SCHEMBL29959714 0.80 TGFBR1 (0.73) TGFBR1MAPK14THRB
SCHEMBL12270041 0.80 TGFBR1 (0.67) TGFBR1MAPK14THRBGRM4TGFBR2
SCHEMBL28803549 0.80 TGFBR1 (0.59) TGFBR1MAPK14THRBGRM4TGFBR2
SCHEMBL19683489 0.78 TGFBR1 (0.59) TGFBR1MAPK14
SCHEMBL29350731 0.78 TGFBR1 (1.00) TGFBR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060025451-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2006-02-02 — — US claimed
EP-2165708-A2 NEW PYRAZOLE DERIVATIVES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2010-03-24 — — EP disclosed
US-20100056571-A1 NOVEL PYRAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER INC. (US) 2010-03-04 — — US disclosed
US-7638537-B2 Pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2009-12-29 — — US disclosed
US-20070117850-A1 substituted or unsubstituted 2-pyridyl moiety and a pyrozole ring substituted at 4 position with pyridine ring; inhibits the TGF-beta signaling pathway; anticancer, antifibrotic, antitumor, and antiproliferative agents PFIZER INC. (US) 2007-05-24 — — US disclosed
US-7151110-B2 Pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2006-12-19 — — US disclosed
US-20060025451-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2006-02-02 — — US disclosed
US-6958354-B2 Pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2005-10-25 — — US disclosed
CN-1681501-A Pyrazole derivatives as transforming growth factor (TGF) inhibitors PFIZER PROD INC (US) 2005-10-12 — — CN disclosed
US-20040116474-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-17 — — 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 (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-20060025451-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885MAPK14 189/4885THRB 313/4885
US-20100056571-A1 NOVEL PYRAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885MAPK14 170/4885THRB 467/4885
US-20070117850-A1 substituted or unsubstituted 2-pyridyl moiety and a pyrozole ring substituted at 4 position with pyridine ring; inhibits the TGF-beta signaling pathway; anticancer, antifibrotic, antitumor, and antiproliferative agents TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885MAPK14 159/4885THRB 1259/4885

“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.

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