SCHEMBL4150495

SCHEMBL4150495

Cc1cccc(-c2cc(-c3cncc(C4=CCNCC4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
ACVR1 Q04771 1/20 0.38
KCNH2 Q12809 1/20 0.38
CDK9 P50750 3/20 0.36
TGFBR2 P37173 1/20 0.36
HTR2C P28335 4/20 0.36
SIGMAR1 Q99720 1/20 0.35
KHK P50053 2/20 0.35
SOS1 Q07889 1/20 0.34
PIK3CD O00329 1/20 0.33

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
SCHEMBL4156975 0.87 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8PIM1TGFBR2
SCHEMBL3732917 0.85 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8PIM1PIM3
SCHEMBL4167789 0.80 JAK1 (0.43) TGFBR1CYP3A4CYP2C8
SCHEMBL4151363 0.79 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL4153898 0.79 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL3794751 0.78 TGFBR1 (0.52) TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL4165292 0.78 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8PIM1TGFBR2
SCHEMBL3802774 0.77 CYP3A4 (0.51) TGFBR1CYP3A4CYP2C8PIM1PIM3
SCHEMBL3803436 0.77 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL4158344 0.77 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
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.