SCHEMBL2200336

SCHEMBL2200336

CCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1OCC2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.46
BUB1 O43683 5/20 0.42
ACVRL1 P37023 9/20 0.41
ACVR1B P36896 8/20 0.41
ACVR1 Q04771 2/20 0.40
NUDT1 P36639 1/20 0.40
BMPR1A P36894 1/20 0.40

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
SCHEMBL2197856 0.87 TGFBR1 (0.52) TGFBR1ACVRL1ACVR1BACVR1NUDT1
SCHEMBL2200330 0.87 NUDT1 (0.56) TGFBR1ACVRL1ACVR1BACVR1NUDT1
SCHEMBL12426186 0.86 BUB1 (0.47) TGFBR1BUB1ACVRL1ACVR1BACVR1
SCHEMBL2202010 0.86 BUB1 (0.45) TGFBR1BUB1ACVRL1ACVR1BACVR1
SCHEMBL2198890 0.85 TGFBR1 (0.44) TGFBR1BUB1ACVRL1ACVR1BACVR1
SCHEMBL2201216 0.85 TGFBR1 (0.44) TGFBR1BUB1ACVRL1ACVR1BACVR1
SCHEMBL12426216 0.85 TGFBR1 (0.44) TGFBR1BUB1ACVRL1ACVR1BACVR1
SCHEMBL2197751 0.84 TGFBR1 (0.40) TGFBR1ACVRL1ACVR1BACVR1NUDT1
SCHEMBL5419312 0.83 TGFBR1 (0.42) TGFBR1BUB1ACVRL1ACVR1BACVR1
SCHEMBL14564462 0.80 BUB1 (0.48) TGFBR1BUB1ACVRL1ACVR1BACVR1

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 12 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
EP-1799218-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES Tibotec Pharmaceuticals Ltd. (IE) 2007-06-27 EP 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
WO-2006035061-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-04-06 WO 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 3900/4885BUB1 836/4885ACVRL1 4546/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 TGFBR1 3/4885BUB1 116/4885ACVRL1 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.