SCHEMBL2201787

SCHEMBL2201787

COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2onc(C)c12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.53
ACVRL1 P37023 11/20 0.48
ACVR1B P36896 10/20 0.48
NUDT1 P36639 1/20 0.42
ACVR1 Q04771 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BUB1 O43683 1/20 0.38
BMPR1A P36894 1/20 0.38

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
SCHEMBL2200023 0.92 TGFBR1 (0.51) TGFBR1ACVRL1ACVR1BNUDT1ACVR1
SCHEMBL12426265 0.91 NUDT1 (0.55) TGFBR1ACVRL1ACVR1BNUDT1ACVR1
SCHEMBL2199997 0.87 TGFBR1 (0.54) TGFBR1ACVRL1ACVR1BNUDT1ACVR1
SCHEMBL5410649 0.86 TGFBR1 (0.46) TGFBR1ACVRL1ACVR1BNUDT1ACVR1
SCHEMBL12426139 0.80 TGFBR1 (0.56) TGFBR1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8346247 0.79 TGFBR1 (0.59) TGFBR1ACVRL1ACVR1BNUDT1ACVR1
SCHEMBL8344324 0.79 TGFBR1 (0.71) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL13649284 0.79 TGFBR1 (0.58) TGFBR1ACVRL1ACVR1BNUDT1ACVR1
SCHEMBL12426339 0.78 TGFBR1 (0.54) TGFBR1ACVRL1ACVR1BNUDT1ACVR1
SCHEMBL14564461 0.78 TGFBR1 (0.56) TGFBR1ACVRL1ACVR1BNUDT1ACVR1

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 10 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-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-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
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 US disclosed
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta SCIOS, INC. 2005-01-06 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 (2 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 3900/4885ACVRL1 4546/4885ACVR1B 4070/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 TGFBR1 3/4885ACVRL1 115/4885ACVR1B 29/4885

“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.