SCHEMBL12426201

SCHEMBL12426201

Fc1ccc(Cl)cc1-c1nc2c(c(Nc3ccncc3C(F)(F)F)n1)OCC2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.39
PRKD3 O94806 1/20 0.39
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
TGFBR2 P37173 2/20 0.35
ULK1 O75385 1/20 0.35
CYP3A4 P08684 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
LATS1 O95835 1/20 0.32
NUDT1 P36639 1/20 0.32
ACVR1B P36896 3/20 0.32
ACVRL1 P37023 3/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL2197751 0.87 TGFBR1 (0.40) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL2197856 0.84 TGFBR1 (0.52) TGFBR1PRKD3PRKD1PRKD2CYP3A4
SCHEMBL12426198 0.83 TGFBR1 (0.40) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL2200330 0.82 NUDT1 (0.56) TGFBR1CYP3A4NUDT1ACVR1BACVRL1
SCHEMBL2200336 0.80 TGFBR1 (0.46) TGFBR1NUDT1ACVR1BACVRL1ACVR1
SCHEMBL12426234 0.79 TGFBR1 (0.39) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8345664 0.75 TGFBR1 (0.48) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL14533161 0.73 TGFBR1 (0.40) TGFBR1
SCHEMBL2198168 0.73 PRKD3 (0.34) TGFBR1PRKD3PRKD1PRKD2
SCHEMBL2200247 0.71 PRKD3 (0.33) TGFBR1PRKD3PRKD1PRKD2

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 4 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

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 TGFBR1 3900/4885PRKD3 3048/4885PRKD1 2510/4885

“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.