SCHEMBL1308646

SCHEMBL1308646

O=C(Nc1cc(Cl)ccc1-c1nnn[nH]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.45
RHOC P08134 6/20 0.45
RHOA P61586 6/20 0.45
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
NR1H4 Q96RI1 2/20 0.44
PPARA Q07869 1/20 0.44
ACLY P53396 1/20 0.43
TMPRSS4 Q9NRS4 2/20 0.42
MEN1 O00255 1/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
P2RX1 P51575 1/20 0.42
KMT2A Q03164 1/20 0.42
MYLK Q15746 1/20 0.42
P2RX4 Q99571 1/20 0.42
P2RX7 Q99572 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42

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
SCHEMBL1308386 0.91 GPR35 (0.56) GPR35RHOCRHOAPPARGPPARD
SCHEMBL5950272 0.86 GRIK1 (0.49) TMPRSS4MEN1IKBKBCHUKKDR
SCHEMBL1307860 0.85 GPR35 (0.56) GPR35MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1307013 0.83 KCNMA1 (0.56) GPR35MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1308444 0.83 KCNMA1 (0.54) GPR35MEN1KMT2ARXFP1
SCHEMBL1307945 0.82 GPR35 (0.58) GPR35MEN1KMT2ARAB9ARXFP1
SCHEMBL1308878 0.81 GPR35 (0.55) GPR35MEN1KMT2ACYP1A2RAB9A
SCHEMBL1309055 0.81 JAK2 (0.47) GPR35MEN1KMT2ARAB9A
SCHEMBL1308279 0.81 GRM5 (0.50) GPR35TMPRSS4MEN1KMT2ARAB9A
SCHEMBL2885184 0.80 CA2 (0.48) GPR35MEN1KMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940792-B1 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES AS INHIBITORS OF PIM-1 AND/OR PIM-3 EXELIXIS INC (US) 2014-06-04 EP claimed
US-20100286149-A1 NOVEL BENZAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-11-11 US claimed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US claimed
EP-1940792-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-1 AND/OR PIM-3 Exelixis, Inc. (US) 2008-07-09 EP claimed
WO-2007044724-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-I AND/OR PIM-3 EXELIXIS, INC. (US) 2007-04-19 WO claimed
EP-1940792-B1 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES AS INHIBITORS OF PIM-1 AND/OR PIM-3 EXELIXIS INC (US) 2014-06-04 EP disclosed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20100286149-A1 NOVEL BENZAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-11-11 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
EP-1940792-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-1 AND/OR PIM-3 Exelixis, Inc. (US) 2008-07-09 EP disclosed
WO-2007044724-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-I AND/OR PIM-3 EXELIXIS, INC. (US) 2007-04-19 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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 GPR35 4703/4885RHOC 3300/4885RHOA 4311/4885
US-20100286149-A1 NOVEL BENZAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNA2, KCNJ2, KCNB2 GPR35 794/4885RHOC 4345/4885RHOA 4757/4885

“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.