SCHEMBL12426161

SCHEMBL12426161

Cc1nc2c(Nc3ccncc3)nc(-c3cccc(Cl)c3)nc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.57
KDM4E B2RXH2 3/20 0.44
MAP4K4 O95819 2/20 0.44
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
LMNA P02545 3/20 0.42
CYP2D6 P10635 3/20 0.42
MAPK1 P28482 3/20 0.42
CYP2C19 P33261 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CASP1 P29466 2/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRKD3 O94806 1/20 0.40
PRKD1 Q15139 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40

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
SCHEMBL12426159 0.82 TGFBR1 (0.64) TGFBR1KDM4EMAP4K4CYP1A2CYP3A4
SCHEMBL12426337 0.81 DHPS (0.41) CYP1A2TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL12426110 0.79 TGFBR1 (0.56) TGFBR1KDM4EMAP4K4CYP1A2CYP3A4
SCHEMBL2127417 0.77 TGFBR1 (0.66) TGFBR1KDM4EMAP4K4CYP1A2CYP3A4
SCHEMBL12426099 0.75 TGFBR1 (0.60) TGFBR1KDM4EMAP4K4CYP1A2CYP3A4
SCHEMBL12426138 0.74 TGFBR1 (0.53) TGFBR1KDM4EMAP4K4CYP1A2CYP3A4
SCHEMBL12426140 0.74 TGFBR1 (0.61) TGFBR1KDM4EMAP4K4CYP1A2CYP3A4
SCHEMBL14344372 0.72 TGFBR1 (0.80) TGFBR1KDM4EMAP4K4CYP1A2CYP3A4
SCHEMBL14344376 0.71 ABCG2 (0.73) TGFBR1KDM4EABCG2
SCHEMBL12426132 0.71 TGFBR1 (0.67) TGFBR1KDM4EMAP4K4CYP1A2CYP3A4

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 TGFBR1 3900/4885KDM4E 1933/4885MAP4K4 3470/4885

“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.