SCHEMBL12426318

SCHEMBL12426318

Cc1cc2c(=O)[nH]c(-c3cccc(Cl)c3)nc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.48
TNKS2 Q9H2K2 4/20 0.48
PARP2 Q9UGN5 2/20 0.48
PIN1 Q13526 1/20 0.48
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PARP1 P09874 2/20 0.45
IDO1 P14902 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PBRM1 Q86U86 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
GUSB P08236 2/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL12426335 0.80 GAA (0.50) TNKSTNKS2PARP2PIN1MGAM
SCHEMBL17829660 0.77 TNKS (0.72) TNKSTNKS2PARP2MGAMGAA
SCHEMBL12426297 0.76 PBRM1 (0.51) PIN1MGAMGAASIMGAM2
SCHEMBL11821683 0.74 TNKS (0.71) TNKSTNKS2PARP2NPC1RAB9A
SCHEMBL12426319 0.73 NPC1 (0.55) NPC1RAB9AIDO1MEN1HTT
SCHEMBL14344541 0.71 HCAR2 (0.56) TNKSTNKS2PARP2PIN1MGAM
SCHEMBL17829780 0.71 TNKS (0.57) TNKSTNKS2PARP2MGAMGAA
SCHEMBL17829758 0.71 TNKS (0.70) TNKSTNKS2PARP2MGAMGAA
SCHEMBL3117263 0.71 PARP1 (0.50) TNKS2GAANPC1RAB9APARP1
SCHEMBL16682868 0.71 MAPK1 (0.69) PIN1MGAMGAASIMGAM2

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 TNKS 344/4885TNKS2 803/4885PARP2 310/4885

“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.