SCHEMBL12426420

SCHEMBL12426420

CC1CCc2nc(-c3cc(Cl)ccc3F)nc(I)c21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.34
PRKD3 O94806 1/20 0.33
TGFBR1 P36897 1/20 0.33
PRKD1 Q15139 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
GRM2 Q14416 2/20 0.31
IDH2 P48735 1/20 0.31
TYMS P04818 1/20 0.31
HTR2B P41595 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL2200301 1.00 IDH1 (0.34) IDH1PRKD3TGFBR1PRKD1PRKD2
SCHEMBL12510114 0.87 NISCH (0.35) IDH1IDH2
SCHEMBL12426423 0.87 IDH1 (0.35) IDH1PRKD3TGFBR1PRKD1PRKD2
SCHEMBL12426424 0.85 IDH1 (0.34) IDH1PRKD3TGFBR1PRKD1PRKD2
SCHEMBL2201678 0.85 IDH1 (0.34) IDH1PRKD3TGFBR1PRKD1PRKD2
SCHEMBL14461819 0.84 IDH1 (0.32) IDH1
SCHEMBL2200759 0.75 SOS1 (0.44)
SCHEMBL12426422 0.74 TGFBR1 (0.41) PRKD3TGFBR1PRKD1PRKD2
SCHEMBL2201640 0.74 TGFBR1 (0.41) PRKD3TGFBR1PRKD1PRKD2
SCHEMBL2199813 0.74 PRKD3 (0.34) IDH1PRKD3TGFBR1PRKD1PRKD2

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 6 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 IDH1 256/4885PRKD3 3048/4885TGFBR1 3900/4885

“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.