SCHEMBL4156975

SCHEMBL4156975

Cc1cccc(-c2cc(-c3cncc(C4=CCCC4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
TGFBR2 P37173 2/20 0.37
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
JAK1 P23458 1/20 0.34
CYP2A6 P11509 1/20 0.33
PIP4K2A P48426 1/20 0.33
PIP4K2B P78356 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33
PIM1 P11309 1/20 0.33
PSMB5 P28074 1/20 0.33
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
CCR1 P32246 1/20 0.32
CCR8 P51685 1/20 0.32
HTR1A P08908 1/20 0.31
NUDT1 P36639 1/20 0.31
METAP2 P50579 1/20 0.31

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
SCHEMBL4150495 0.87 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2PIM1
SCHEMBL4156960 0.84 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8TGFBR2JAK2
SCHEMBL3667334 0.82 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8TGFBR2JAK2
SCHEMBL4167789 0.81 JAK1 (0.43) TGFBR1CYP3A4CYP2C8JAK1
SCHEMBL4153898 0.80 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL4151363 0.80 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL3794751 0.79 TGFBR1 (0.52) TGFBR1CYP3A4CYP2C8TGFBR2JAK1
SCHEMBL4165292 0.79 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8TGFBR2JAK1
SCHEMBL3802774 0.78 CYP3A4 (0.51) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL4158344 0.78 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6

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.