SCHEMBL4158048

SCHEMBL4158048

CNCc1cncc(-c2cncc(-c3cc(-c4cccc(C)n4)nc4[nH]ccc34)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
TGFBR2 P37173 2/20 0.37
PRMT6 Q96LA8 3/20 0.36
EPHX2 P34913 1/20 0.36
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
RET P07949 2/20 0.35
CDK1 P06493 1/20 0.35
KDR P35968 1/20 0.35
DYRK1A Q13627 1/20 0.34
CYP2A6 P11509 1/20 0.34
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
HPGDS O60760 1/20 0.33
CCNK O75909 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
SCHEMBL3804408 0.94 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8NOS3NOS1
SCHEMBL4150489 0.93 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8NOS3NOS1
SCHEMBL4154586 0.87 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8TGFBR2PIP4K2A
SCHEMBL4157242 0.86 TGFBR1 (0.50) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL4158256 0.85 CDK8 (0.49) TGFBR1CYP3A4CYP2C8NOS3NOS1
SCHEMBL4155004 0.85 CDK8 (0.49) TGFBR1CYP3A4CYP2C8TGFBR2PIP4K2A
SCHEMBL4158344 0.84 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2PIP4K2A
SCHEMBL3664985 0.84 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8TGFBR2PIP4K2A
SCHEMBL4159244 0.83 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8TGFBR2PIP4K2A
SCHEMBL3664849 0.82 CYP3A4 (0.43) TGFBR1CYP3A4CYP2C8

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.