SCHEMBL12426352

SCHEMBL12426352

Oc1nc(-c2cc(Cl)ccc2F)nc2c1CNCC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HTR2A P28223 13/20 0.40
HTR2C P28335 13/20 0.40
HTR2B P41595 13/20 0.40
PNMT P11086 1/20 0.37
SOS1 Q07889 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
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL12426359 0.90 PNMT (0.37) MAPTHTR2AHTR2CHTR2BPNMT
SCHEMBL2202293 0.81 SOS1 (0.44) MAPTSOS1
SCHEMBL12426340 0.81 ACHE (0.43) MAPTSOS1
SCHEMBL2199388 0.75 PRKD3 (0.34) HTR2BPRKD3TGFBR1PRKD1PRKD2
SCHEMBL12426171 0.74 TGFBR1 (0.40) MAPTHTR2AHTR2CHTR2BPRKD3
SCHEMBL2203166 0.73 MAOA (0.34) HTR2BPRKD3TGFBR1PRKD1PRKD2
SCHEMBL2200247 0.73 PRKD3 (0.33) HTR2BPRKD3TGFBR1PRKD1PRKD2
SCHEMBL2201678 0.72 IDH1 (0.34) HTR2BPRKD3TGFBR1PRKD1PRKD2
SCHEMBL12426424 0.72 IDH1 (0.34) HTR2BPRKD3TGFBR1PRKD1PRKD2
SCHEMBL12426347 0.71 ACHE (0.44) MAPTSOS1PRKD3TGFBR1PRKD1

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 MAPT 3915/4885HTR2A 4027/4885HTR2C 3362/4885

“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.