SCHEMBL3672347

SCHEMBL3672347

Cc1cccc(-c2nc(-c3cncc(-c4cccc(CO)c4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 4/20 0.47
PIK3CA P42336 2/20 0.46
MTOR P42345 2/20 0.46
TGFBR1 P36897 5/20 0.43
TGFBR2 P37173 2/20 0.43
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
MAP2K4 P45985 1/20 0.35
PRKCI P41743 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2A6 P11509 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
PTGER4 P35408 1/20 0.34

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 0.94 TGFBR1 (0.45) CDK8PIK3CAMTORTGFBR1TGFBR2
SCHEMBL3671312 0.92 TGFBR1 (0.46) CDK8PIK3CAMTORTGFBR1TGFBR2
SCHEMBL4158011 0.91 TGFBR1 (0.44) CDK8PIK3CAMTORTGFBR1TGFBR2
SCHEMBL3727379 0.90 CDK8 (0.47) CDK8PIK3CAMTORTGFBR1TGFBR2
SCHEMBL4161242 0.90 NOS3 (0.46) CDK8PIK3CAMTORTGFBR1TGFBR2
SCHEMBL3720781 0.89 TGFBR1 (0.40) CDK8PIK3CAMTORTGFBR1TGFBR2
SCHEMBL4158616 0.89 TGFBR1 (0.42) CDK8PIK3CAMTORTGFBR1TGFBR2
SCHEMBL3722712 0.88 TGFBR1 (0.39) CDK8PIK3CAMTORTGFBR1TGFBR2
SCHEMBL3731753 0.87 TGFBR1 (0.46) CDK8PIK3CAMTORTGFBR1TGFBR2
SCHEMBL3729500 0.87 TGFBR1 (0.48) CDK8TGFBR1TGFBR2CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN 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
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN 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 CDK8 844/4885PIK3CA 89/4885MTOR 2126/4885

“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.