SCHEMBL3794751

SCHEMBL3794751

CSc1cncc(-c2cc(-c3cccc(C)n3)nc3[nH]ccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C8 P10632 1/20 0.52
TGFBR2 P37173 2/20 0.40
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
CYP2A6 P11509 1/20 0.37
IDO1 P14902 1/20 0.37
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
JAK1 P23458 1/20 0.35
METAP2 P50579 1/20 0.35
NUDT1 P36639 2/20 0.34
SIK2 Q9H0K1 1/20 0.34
PIP4K2A P48426 1/20 0.34
PIP4K2B P78356 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL4153898 0.85 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8TGFBR2CCNK
SCHEMBL4151363 0.85 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8TGFBR2CCNK
SCHEMBL3802774 0.83 CYP3A4 (0.51) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL4168756 0.82 TGFBR1 (0.58) TGFBR1CYP3A4CYP2C8TGFBR2CCNK
SCHEMBL4157242 0.82 TGFBR1 (0.50) TGFBR1CYP3A4CYP2C8TGFBR2CCNK
SCHEMBL3719316 0.82 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL4159819 0.81 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL3803436 0.81 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2CCNK
SCHEMBL4158344 0.81 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2CCNK
SCHEMBL4161810 0.81 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2CCNK

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-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
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO 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.