SCHEMBL12426232

SCHEMBL12426232

NNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CCC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.45
TGFBR1 P36897 19/20 0.44
ACVRL1 P37023 10/20 0.44
ACVR1B P36896 14/20 0.44
ACVR1 Q04771 2/20 0.44
BMPR1A P36894 1/20 0.44
CYP3A4 P08684 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL12426225 0.92 NUDT1 (0.46) NUDT1TGFBR1ACVRL1ACVR1BACVR1
SCHEMBL2214058 0.91 NUDT1 (0.56) NUDT1TGFBR1ACVRL1ACVR1BACVR1
SCHEMBL12426164 0.91 TGFBR1 (0.51) NUDT1TGFBR1ACVRL1ACVR1BACVR1
SCHEMBL12426343 0.90 TGFBR1 (0.51) NUDT1TGFBR1ACVRL1ACVR1BACVR1
SCHEMBL12426219 0.90 TGFBR1 (0.55) NUDT1TGFBR1ACVRL1ACVR1BACVR1
SCHEMBL12426202 0.90 NUDT1 (0.56) NUDT1TGFBR1ACVRL1ACVR1BACVR1
SCHEMBL12426207 0.89 TGFBR1 (0.57) NUDT1TGFBR1ACVRL1ACVR1BACVR1
SCHEMBL14533343 0.89 TGFBR1 (0.41) NUDT1TGFBR1ACVRL1ACVR1BACVR1
SCHEMBL12426204 0.88 TGFBR1 (0.45) NUDT1TGFBR1ACVRL1ACVR1BACVR1
SCHEMBL12426228 0.88 TGFBR1 (0.49) NUDT1TGFBR1ACVRL1ACVR1BACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977342-B2 HCV inhibiting bi-cyclic pyrimidines TIBOTEC-VIRCO VIROLOGY BVBA (BE) 2011-07-12 US disclosed
US-7977342-B2 HCV inhibiting bi-cyclic pyrimidines TIBOTEC-VIRCO VIROLOGY BVBA (BE) 2011-07-12 US disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 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-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES UMPS, NUDT1, PNP NUDT1 2/4885TGFBR1 3900/4885ACVRL1 4546/4885

“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.