SCHEMBL2201754

SCHEMBL2201754

CC1(C)Cc2nc(-c3cc(Cl)ccc3F)nc(I)c2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GRM5 P41594 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
IDH1 O75874 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPK13 O15264 1/20 0.31
DAPK3 O43293 1/20 0.31
ROCK2 O75116 1/20 0.31
CHEK2 O96017 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL14441721 0.86 CYP11B2 (0.36) CYP11B2MAOAMAOBGRM5PRKD3
SCHEMBL2203166 0.86 MAOA (0.34) CYP11B2MAOAMAOBGRM5PRKD3
SCHEMBL2200759 0.77 SOS1 (0.44) ALDH1A1MAPTRECQLCHRM1
SCHEMBL2199813 0.76 PRKD3 (0.34) PRKD3TGFBR1PRKD1PRKD2IDH1
SCHEMBL2200081 0.73 TGFBR1 (0.40) MAOAMAOBGRM5PRKD3TGFBR1
SCHEMBL12426420 0.72 IDH1 (0.34) PRKD3TGFBR1PRKD1PRKD2IDH1
SCHEMBL2200301 0.72 IDH1 (0.34) PRKD3TGFBR1PRKD1PRKD2IDH1
SCHEMBL14461775 0.72 CYP11B2 (0.31) CYP11B2IDH1
SCHEMBL14461921 0.72 IDH1 (0.30) IDH1
SCHEMBL12426234 0.71 TGFBR1 (0.39) CYP11B2MAOAMAOBGRM5PRKD3

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 13 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-7977342-B2 HCV inhibiting bi-cyclic pyrimidines TIBOTEC-VIRCO VIROLOGY BVBA (BE) 2011-07-12 US disclosed
EP-1608631-A4 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC (US) 2008-08-20 EP disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
EP-1799218-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES Tibotec Pharmaceuticals Ltd. (IE) 2007-06-27 EP 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
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 US disclosed
WO-2006035061-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-04-06 WO disclosed
EP-1608631-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC. (US) 2005-12-28 EP disclosed
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta SCIOS, INC. 2005-01-06 US disclosed
WO-2004087056-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGFβ SCIOS INC. (US) 2004-10-14 WO 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 (2 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 CYP11B2 2363/4885MAOA 1576/4885MAOB 718/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 CYP11B2 1981/4885MAOA 2928/4885MAOB 985/4885

“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.