SCHEMBL2199378

SCHEMBL2199378

Fc1ccc(Cl)cc1-c1nc(Cl)c2c(n1)COC2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.35
TGFBR1 P36897 1/20 0.35
PRKD1 Q15139 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
CHRM1 P11229 3/20 0.34
HTR2B P41595 1/20 0.33
PDE4D Q08499 1/20 0.33
APEX1 P27695 1/20 0.33
DPP4 P27487 1/20 0.33
CHRM3 P20309 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.32
LRRK2 Q5S007 1/20 0.32
IDH1 O75874 1/20 0.32
PLAT P00750 1/20 0.31
AURKA O14965 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
SCHEMBL2199388 0.87 PRKD3 (0.34) PRKD3TGFBR1PRKD1PRKD2CHRM1
SCHEMBL14441726 0.86 KDM4E (0.35) PRKD3TGFBR1PRKD1PRKD2HTR2B
SCHEMBL2199813 0.86 PRKD3 (0.34) PRKD3TGFBR1PRKD1PRKD2CHRM1
SCHEMBL12634796 0.83 CYP1A2 (0.36)
SCHEMBL12426347 0.81 ACHE (0.44) PRKD3TGFBR1PRKD1PRKD2CHRM1
SCHEMBL2200699 0.78 SOS1 (0.45) CHRM1
SCHEMBL2199362 0.73 TGFBR1 (0.41) PRKD3TGFBR1PRKD1PRKD2
SCHEMBL2198168 0.73 PRKD3 (0.34) PRKD3TGFBR1PRKD1PRKD2HTR2B
SCHEMBL12426423 0.72 IDH1 (0.35) PRKD3TGFBR1PRKD1PRKD2CHRM1
SCHEMBL14463345 0.71 ACHE (0.46) CHRM1IDH1

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 12 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
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-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
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta SCIOS, INC. 2005-01-06 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 (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 PRKD3 3048/4885TGFBR1 3900/4885PRKD1 2510/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 PRKD3 2090/4885TGFBR1 3/4885PRKD1 2342/4885

“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.