SCHEMBL3109613

SCHEMBL3109613

CC=Cc1c(C(=O)NC2CC2)nnn1-c1ccc(C(=O)NCC(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.38
CYP2C9 P11712 3/20 0.38
LIPG Q9Y5X9 2/20 0.37
GABRA5 P31644 1/20 0.37
MAPK11 Q15759 2/20 0.36
BUB1 O43683 1/20 0.36
PRKACG P22612 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
ACSL5 Q9ULC5 1/20 0.36
STK24 Q9Y6E0 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
HPGDS O60760 2/20 0.35
HPGD P15428 1/20 0.35
RIPK1 Q13546 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
CRHR1 P34998 1/20 0.34
MAPK13 O15264 1/20 0.34

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
SCHEMBL3109608 1.00 MAPK14 (0.38) MAPK14CYP2C9LIPGGABRA5MAPK11
SCHEMBL3109603 0.86 PTGER4 (0.39) GABRA5RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL3109595 0.86 PTGER4 (0.39) GABRA5RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL13158435 0.85 CCR1 (0.43) MAPK14CYP2C9LIPGMAPK11BUB1
SCHEMBL3104463 0.82 MAPK14 (0.39) MAPK14CYP2C9LIPGGABRA5MAPK11
SCHEMBL3112324 0.80 GABRA5 (0.45) MAPK14GABRA5RAB9AMAPK13CYP1A2
SCHEMBL3112331 0.80 GABRA5 (0.45) MAPK14GABRA5RAB9AMAPK13CYP1A2
SCHEMBL3115763 0.80 CYP2C9 (0.37) MAPK14CYP2C9LIPGGABRA5MAPK11
SCHEMBL3113167 0.79 HPGD (0.42) MAPK14CYP2C9GABRA5MAPK11MAPT
SCHEMBL3105008 0.79 MAPK14 (0.36) MAPK14CYP2C9LIPGGABRA5MAPK11

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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US claimed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US claimed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP claimed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 MAPK14 1769/4885CYP2C9 494/4885LIPG 3679/4885

“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.