SCHEMBL4171887

SCHEMBL4171887

Cc1cccc(-c2cc(-c3ccc(C=O)cc3)c3cc[nH]c3n2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C8 P10632 1/20 0.51
TGFBR2 P37173 2/20 0.38
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
CDK8 P49336 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPK14 Q16539 1/20 0.35
PAK1 Q13153 1/20 0.35
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
JAK1 P23458 3/20 0.34

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
SCHEMBL4153879 0.90 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8TGFBR2CCR1
SCHEMBL4157147 0.89 TGFBR1 (0.50) TGFBR1CYP3A4CYP2C8TGFBR2CCR1
SCHEMBL29680885 0.83 CYP2A6 (0.39) TGFBR1CYP3A4CYP2C8CDK8JAK1
SCHEMBL24528632 0.83 CYP2A6 (0.39) TGFBR1CYP3A4CYP2C8CDK8JAK1
SCHEMBL3796603 0.83 CDK8 (0.49) TGFBR1CYP3A4CYP2C8TGFBR2CDK8
SCHEMBL3803436 0.80 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2CCR1
SCHEMBL4168756 0.77 TGFBR1 (0.58) TGFBR1CYP3A4CYP2C8TGFBR2CCNK
SCHEMBL3794724 0.77 TGFBR1 (0.60) TGFBR1CYP3A4CYP2C8TGFBR2CCR1
SCHEMBL3666832 0.76 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8TGFBR2CDK8
SCHEMBL4151363 0.75 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8TGFBR2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 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 (1 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 TGFBR1 128/4885CYP3A4 111/4885CYP2C8 1297/4885

“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.