SCHEMBL3730619

SCHEMBL3730619

CCNC(=O)c1cncc(-c2nc(-c3cccc(C)n3)nc3[nH]ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.47
TGFBR2 P37173 5/20 0.47
CDK8 P49336 2/20 0.45
KLKB1 P03952 2/20 0.42
KLK1 P06870 2/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
KCNH2 Q12809 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
HPGDS O60760 1/20 0.35
GRM5 P41594 2/20 0.35
JAK1 P23458 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35

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
SCHEMBL3722416 0.89 KDR (0.46) TGFBR1TGFBR2CDK8KLKB1KLK1
SCHEMBL4161445 0.88 KDR (0.48) TGFBR1TGFBR2KLKB1KLK1HPGDS
SCHEMBL3723829 0.87 TGFBR1 (0.48) TGFBR1TGFBR2KLKB1KLK1CYP3A4
SCHEMBL4154301 0.87 FYN (0.47) TGFBR1TGFBR2KLKB1KLK1HPGDS
SCHEMBL4161414 0.83 TGFBR1 (0.47) TGFBR1TGFBR2
SCHEMBL3665916 0.83 HPGDS (0.56) TGFBR1TGFBR2CYP3A4CYP2C8HPGDS
SCHEMBL3668426 0.83 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL3723221 0.82 TGFBR1 (0.50) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL3671312 0.82 TGFBR1 (0.46) TGFBR1TGFBR2CDK8KLKB1KLK1
SCHEMBL3722185 0.81 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8

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
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 128/4885TGFBR2 443/4885CDK8 844/4885

“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.