SCHEMBL2200526

SCHEMBL2200526

CC1(C)Cc2nc(-c3cc(Cl)ccc3F)nc(Nc3ccncc3C(N)=O)c2C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.51
NUDT1 P36639 1/20 0.42
ACVRL1 P37023 9/20 0.41
ACVR1B P36896 9/20 0.41
ACVR1 Q04771 2/20 0.41
BMPR1A P36894 1/20 0.41
SYK P43405 1/20 0.40
CYP3A4 P08684 1/20 0.39
BUB1 O43683 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
SCHEMBL2199551 0.92 TGFBR1 (0.51) TGFBR1NUDT1ACVRL1ACVR1BACVR1
SCHEMBL12510165 0.91 TGFBR1 (0.42) TGFBR1BUB1
SCHEMBL2203968 0.91 TGFBR1 (0.52) TGFBR1NUDT1ACVRL1ACVR1BACVR1
SCHEMBL12426243 0.91 NUDT1 (0.55) TGFBR1NUDT1ACVRL1ACVR1BACVR1
SCHEMBL14461776 0.88 TGFBR1 (0.40) TGFBR1NUDT1ACVRL1ACVR1BACVR1
SCHEMBL12426248 0.86 TGFBR1 (0.48) TGFBR1NUDT1ACVRL1ACVR1BACVR1
SCHEMBL12426245 0.86 TGFBR1 (0.58) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL2200081 0.86 TGFBR1 (0.40) TGFBR1NUDT1ACVRL1ACVR1BCYP3A4
SCHEMBL12426164 0.85 TGFBR1 (0.51) TGFBR1NUDT1ACVRL1ACVR1BACVR1
SCHEMBL12426246 0.84 TGFBR1 (0.49) TGFBR1ACVRL1ACVR1BACVR1BMPR1A

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 13 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
EP-1608631-A4 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC (US) 2008-08-20 EP 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
EP-1608631-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC. (US) 2005-12-28 EP disclosed
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta SCIOS, INC. 2005-01-06 US disclosed
WO-2004087056-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGFβ SCIOS INC. (US) 2004-10-14 WO 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 3900/4885NUDT1 2/4885ACVRL1 4546/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 TGFBR1 3/4885NUDT1 18/4885ACVRL1 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.