SCHEMBL3671312

SCHEMBL3671312

Cc1cccc(-c2nc(-c3cncc(CO)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.46
TGFBR2 P37173 3/20 0.46
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CDK8 P49336 1/20 0.38
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
CYP2A6 P11509 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
DYRK1A Q13627 1/20 0.34
PDK1 Q15118 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
SCHEMBL3727013 0.98 TGFBR1 (0.45) TGFBR1TGFBR2PIK3CAMTORCYP3A4
SCHEMBL3672347 0.92 CDK8 (0.47) TGFBR1TGFBR2PIK3CAMTORCYP3A4
SCHEMBL4158011 0.91 TGFBR1 (0.44) TGFBR1TGFBR2PIK3CAMTORCYP3A4
SCHEMBL3668426 0.86 TGFBR1 (0.48) TGFBR1TGFBR2PIK3CAMTORCYP3A4
SCHEMBL3723221 0.86 TGFBR1 (0.50) TGFBR1TGFBR2CYP3A4CYP2C8CYP2A6
SCHEMBL3723829 0.84 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8KLKB1
SCHEMBL3727379 0.84 CDK8 (0.47) TGFBR1TGFBR2PIK3CAMTORCYP3A4
SCHEMBL3722185 0.84 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8CYP2A6
SCHEMBL4164747 0.84 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8CYP2A6
SCHEMBL3729500 0.84 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO 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 128/4885TGFBR2 443/4885PIK3CA 89/4885

“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.