SCHEMBL12426199

SCHEMBL12426199

O=C(c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CCC2)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.56
ACVR1B P36896 6/20 0.56
TGFBR2 P37173 3/20 0.43
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
NUDT1 P36639 1/20 0.39
CYP3A4 P08684 1/20 0.39
ACVRL1 P37023 5/20 0.38
PRKD3 O94806 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
ACVR1 Q04771 1/20 0.36

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
SCHEMBL12426343 0.89 TGFBR1 (0.51) TGFBR1ACVR1BFLT1FLT4KDR
SCHEMBL12426164 0.88 TGFBR1 (0.51) TGFBR1ACVR1BFLT1FLT4KDR
SCHEMBL12426225 0.87 NUDT1 (0.46) TGFBR1ACVR1BFLT1FLT4KDR
SCHEMBL2198485 0.87 TGFBR1 (0.51) TGFBR1ACVR1BFLT1FLT4KDR
SCHEMBL2214058 0.86 NUDT1 (0.56) TGFBR1ACVR1BNUDT1CYP3A4ACVRL1
SCHEMBL12426339 0.86 TGFBR1 (0.54) TGFBR1ACVR1BNUDT1CYP3A4ACVRL1
SCHEMBL12426232 0.86 NUDT1 (0.45) TGFBR1ACVR1BFLT1FLT4KDR
SCHEMBL12426263 0.85 TGFBR1 (0.52) TGFBR1ACVR1BTGFBR2FLT1FLT4
SCHEMBL12426202 0.84 NUDT1 (0.56) TGFBR1ACVR1BNUDT1CYP3A4ACVRL1
SCHEMBL12426266 0.84 TGFBR1 (0.53) TGFBR1ACVR1BTGFBR2FLT1FLT4

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-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
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 TGFBR1 3900/4885ACVR1B 4070/4885TGFBR2 4140/4885

“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.