SCHEMBL802298

SCHEMBL802298

O=c1nc(-c2ccccc2C(F)(F)F)cc(-c2ccccc2)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 3/20 0.63
HSD17B10 Q99714 1/20 0.63
CDC7 O00311 5/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
PIM1 P11309 2/20 0.49
GSK3B P49841 2/20 0.49
CSNK2A1 P68400 2/20 0.49
CSNK2A2 P19784 1/20 0.49
CLK1 P49759 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
MAPK13 O15264 1/20 0.48
DAPK3 O43293 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL384812 0.79 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL28544732 0.78 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL14164057 0.78 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL6592329 0.74 TNF (0.71) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL6592328 0.74 TNF (0.71) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL385565 0.74 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL801944 0.72 GSK3B (0.56) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL385542 0.71 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL12653361 0.71 ACP1 (0.51) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL802294 0.71 MEN1 (0.62) KDM4EALDH1A1HPGDHSD17B10ACP1

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-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 KDM4E 1040/4885ALDH1A1 4768/4885HPGD 4652/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A KDM4E 1621/4885ALDH1A1 4625/4885HPGD 3249/4885

“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.