SCHEMBL4476934

SCHEMBL4476934

Cc1cccc(-c2[nH]c(C)nc2-c2ccc3nn[nH]c3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.49
MTOR P42345 1/20 0.49
CYP2D6 P10635 5/20 0.44
CYP2C9 P11712 5/20 0.44
CYP2C19 P33261 5/20 0.44
MAPK14 Q16539 7/20 0.43
CYP1A2 P05177 1/20 0.43
RIPK2 O43353 1/20 0.43
ACVR1B P36896 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TGFBR2 P37173 1/20 0.42
CYP3A4 P08684 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
SCHEMBL4479537 0.86 TGFBR1 (0.68) TGFBR1MTORCYP2D6CYP2C9CYP2C19
SCHEMBL4483614 0.82 TGFBR1 (0.49) TGFBR1MTORCYP2D6CYP2C9CYP2C19
SCHEMBL6757465 0.79 TGFBR1 (0.74) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6760976 0.78 TGFBR1 (0.54) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6764686 0.78 TGFBR1 (0.48) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL4481445 0.77 TGFBR1 (0.53) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6076066 0.77 TGFBR1 (0.47) TGFBR1MTORMAPK14
SCHEMBL4038621 0.75 TGFBR1 (0.40) TGFBR1MTORCYP2D6MAPK14TGFBR2
SCHEMBL6881791 0.75 TGFBR1 (0.67) TGFBR1MTORMAPK14
SCHEMBL6759976 0.72 TGFBR1 (0.51) TGFBR1MTORMAPK14RIPK2ACVR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153872-B2 Imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2006-12-26 US claimed
US-7635702-B2 Imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2009-12-22 US disclosed
US-20070088037-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER INC. (US) 2007-04-19 US disclosed
US-7153872-B2 Imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2006-12-26 US disclosed
US-20040106608-A1 Novel imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-03 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 (2 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-20040106608-A1 Novel imidazole compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, TGFBR2 TGFBR1 2/4885MTOR 81/4885CYP2D6 4782/4885
US-20070088037-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885MTOR 72/4885CYP2D6 4747/4885

“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.