SCHEMBL2199997

SCHEMBL2199997

Cc1noc2nc(-c3cc(Cl)ccc3F)nc(Nc3ccncc3C(=O)NC3CC3)c12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.54
ACVR1B P36896 10/20 0.54
ACVRL1 P37023 9/20 0.54
CYP3A4 P08684 1/20 0.54
NUDT1 P36639 1/20 0.42
ACVR1 Q04771 2/20 0.39
BRD4 O60885 1/20 0.39
BMPR1A P36894 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
SCHEMBL12426265 0.90 NUDT1 (0.55) TGFBR1ACVR1BACVRL1CYP3A4NUDT1
SCHEMBL2200023 0.88 TGFBR1 (0.51) TGFBR1ACVR1BACVRL1NUDT1ACVR1
SCHEMBL2201787 0.87 TGFBR1 (0.53) TGFBR1ACVR1BACVRL1NUDT1ACVR1
SCHEMBL5410649 0.82 TGFBR1 (0.46) TGFBR1ACVR1BACVRL1NUDT1ACVR1
SCHEMBL8344363 0.80 TGFBR1 (0.63) TGFBR1ACVR1BACVRL1CYP3A4NUDT1
SCHEMBL3827835 0.79 TGFBR1 (0.59) TGFBR1ACVR1BACVRL1CYP3A4NUDT1
SCHEMBL12426207 0.79 TGFBR1 (0.57) TGFBR1ACVR1BACVRL1CYP3A4NUDT1
SCHEMBL2206244 0.79 TGFBR1 (0.57) TGFBR1ACVR1BACVRL1CYP3A4NUDT1
SCHEMBL8344359 0.79 TGFBR1 (0.59) TGFBR1ACVR1BACVRL1CYP3A4NUDT1
SCHEMBL2494080 0.78 TGFBR1 (0.57) TGFBR1ACVR1BACVRL1CYP3A4NUDT1

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 3900/4885ACVR1B 4070/4885ACVRL1 4546/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 TGFBR1 3/4885ACVR1B 29/4885ACVRL1 115/4885

“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.