SCHEMBL12426337

SCHEMBL12426337

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
NR1I3 Q14994 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
NPC1 O15118 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAOB P27338 1/20 0.39
IDH1 O75874 1/20 0.39
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL12426161 0.81 TGFBR1 (0.57) TP53MAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL12426319 0.77 NPC1 (0.55) DHPSTP53MAPTNR1I3NPC1
SCHEMBL12426299 0.73 MAPT (0.45) DHPSTP53MAPTNR1I3NPC1
SCHEMBL12426335 0.73 GAA (0.50) MGAMGAASIMGAM2NPC1
SCHEMBL10589866 0.72 IDO1 (0.57) TP53NR1I3GAANPC1TSHR
SCHEMBL5546758 0.69 ALDH1A1 (0.48) TP53MAPTMGAMGAASI
SCHEMBL14363634 0.69 L3MBTL1 (0.77) TP53MAPTNPC1TSHRSMN1; SMN2
SCHEMBL5544010 0.69 PTGS1 (0.53) TP53MAPTNPC1TSHRSMN1; SMN2
SCHEMBL31044873 0.69 ADORA2A (0.43) DHPSTP53MAPTNR1I3IDH1
SCHEMBL5551436 0.68 NR1I3 (0.48) DHPSTP53MAPTNR1I3GAA

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 DHPS 83/4885TP53 1515/4885MAPT 3915/4885

“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.