SCHEMBL12426263

SCHEMBL12426263

O=C(NCCN1CCCC1)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CCC2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.52
TGFBR2 P37173 9/20 0.52
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
ACVRL1 P37023 3/20 0.45
ACVR1B P36896 3/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL12426266 0.99 TGFBR1 (0.53) TGFBR1TGFBR2FLT1FLT4KDR
SCHEMBL12426256 0.90 TGFBR1 (0.51) TGFBR1TGFBR2FLT1FLT4KDR
SCHEMBL12426219 0.90 TGFBR1 (0.55) TGFBR1FLT1FLT4KDRMAPK8
SCHEMBL12426228 0.88 TGFBR1 (0.49) TGFBR1FLT1FLT4KDRMAPK8
SCHEMBL12426261 0.87 TGFBR1 (0.46) TGFBR1TGFBR2FLT1FLT4KDR
SCHEMBL12426258 0.87 TGFBR1 (0.66) TGFBR1TGFBR2FLT1FLT4KDR
SCHEMBL12426257 0.87 TGFBR1 (0.50) TGFBR1TGFBR2FLT1FLT4KDR
SCHEMBL12426262 0.87 TGFBR1 (0.49) TGFBR1TGFBR2FLT1FLT4KDR
SCHEMBL12426232 0.86 NUDT1 (0.45) TGFBR1FLT1FLT4KDRMAPK8
SCHEMBL12426255 0.86 TGFBR1 (0.47) TGFBR1FLT1FLT4KDRMAPK8

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 3900/4885TGFBR2 4140/4885FLT1 2797/4885

“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.