SCHEMBL12426207

SCHEMBL12426207

O=C(NC1CC1)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CCC2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.57
CYP3A4 P08684 1/20 0.57
ACVR1B P36896 8/20 0.55
ACVRL1 P37023 7/20 0.55
NUDT1 P36639 1/20 0.43
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 1/20 0.40
ACVR1 Q04771 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2206244 0.98 TGFBR1 (0.57) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL12426225 0.90 NUDT1 (0.46) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL12426232 0.89 NUDT1 (0.45) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL2214058 0.89 NUDT1 (0.56) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL12426343 0.88 TGFBR1 (0.51) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL12426204 0.88 TGFBR1 (0.45) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL12426219 0.88 TGFBR1 (0.55) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL12426202 0.87 NUDT1 (0.56) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL12426164 0.87 TGFBR1 (0.51) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL12426228 0.86 TGFBR1 (0.49) TGFBR1CYP3A4ACVR1BACVRL1NUDT1

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 3900/4885CYP3A4 1428/4885ACVR1B 4070/4885

“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.