SCHEMBL2197696

SCHEMBL2197696

Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.42
PRKD3 O94806 1/20 0.42
PRKD1 Q15139 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
TGFBR2 P37173 3/20 0.41
SOS1 Q07889 2/20 0.41
GSK3B P49841 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
ACHE P22303 1/20 0.36
ACVR1B P36896 1/20 0.35
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
NUDT1 P36639 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL12426163 0.98 TGFBR1 (0.42) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL12426171 0.88 TGFBR1 (0.40) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL12426172 0.88 TGFBR1 (0.40) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL2199362 0.86 TGFBR1 (0.41) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL2198485 0.85 TGFBR1 (0.51) TGFBR1PRKD3PRKD1PRKD2CYP3A4
SCHEMBL2200081 0.85 TGFBR1 (0.40) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL12426198 0.85 TGFBR1 (0.40) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL12426202 0.85 NUDT1 (0.56) TGFBR1CYP3A4ACVR1BNUDT1
SCHEMBL2202010 0.84 BUB1 (0.45) TGFBR1ACVR1BNUDT1
SCHEMBL2201640 0.84 TGFBR1 (0.41) TGFBR1PRKD3PRKD1PRKD2TGFBR2

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 17 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
CN-100594903-C HCV inhibitory bicyclic pyrimidines TIBOTEC PHARM LTD 2010-03-24 CN disclosed
EP-1608631-A4 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC (US) 2008-08-20 EP disclosed
CN-101031304-A HCV inhibiting bi-cyclic pyrimidines TIBOTEC PHARM LTD (IE) 2007-09-05 CN 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
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 3900/4885PRKD3 3048/4885PRKD1 2510/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 TGFBR1 3/4885PRKD3 2090/4885PRKD1 2342/4885

“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.