SCHEMBL2200601

SCHEMBL2200601

CCOc1oc(C)nc1C(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.35
TARBP2 Q15633 4/20 0.33
ALDH1A1 P00352 4/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR9 Q9NR96 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL2202683 0.84 KDM4E (0.38) FBP1TARBP2ALDH1A1MAPTNPC1
SCHEMBL12426320 0.83 FBP1 (0.44) FBP1TARBP2ALDH1A1MAPTNPC1
SCHEMBL9203907 0.72 TARBP2 (0.42) FBP1TARBP2ALDH1A1MAPTNPC1
SCHEMBL539776 0.71 FBP1 (0.32) FBP1TARBP2ALDH1A1
SCHEMBL9296032 0.71 TARBP2 (0.43) FBP1TARBP2ALDH1A1MAPTNPC1
SCHEMBL9207374 0.67 TARBP2 (0.43) FBP1TARBP2ALDH1A1MAPTHSD17B10
SCHEMBL23989979 0.66 CA12 (0.44) NPC1MAPK1HTTNPSR1SMN1; SMN2
SCHEMBL2616840 0.66 TARBP2 (0.58) FBP1TARBP2ALDH1A1MAPTHSD17B10
SCHEMBL24424625 0.63 FBP1 (0.72) FBP1TARBP2ALDH1A1NPC1KDM4E
Hydrochloric Acid SCHEMBL3820081 0.63 TARBP2 (0.46) FBP1TARBP2ALDH1A1MAPTNPC1

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 15 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
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 FBP1 270/4885TARBP2 1281/4885ALDH1A1 1844/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 FBP1 487/4885TARBP2 942/4885ALDH1A1 2042/4885

“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.