SCHEMBL3116074

SCHEMBL3116074

NC(=O)c1cn(-c2ccc(C(=O)NCC(F)(F)F)cc2I)nn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.46
MAPK14 Q16539 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.37
BRAF P15056 1/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
LGALS3 P17931 2/20 0.33
DDT P30046 2/20 0.33
CA5A P35218 1/20 0.33
ULK1 O75385 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
MIF P14174 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32

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
SCHEMBL3114182 0.90 NOTUM (0.45) NOTUMMAPK14LOXL2BRAFLGALS3
SCHEMBL3105297 0.86 NOTUM (0.41) NOTUMMAPK14FAAHMGLLMIF
SCHEMBL3110786 0.85 CA1 (0.41) NOTUMMAPK14BRAF
SCHEMBL3109536 0.85 ACKR3 (0.45) NOTUMMAPK14
SCHEMBL3115526 0.81 NOTUM (0.41) NOTUMMAPK14LOXL2FAAHMGLL
SCHEMBL3114843 0.80 NOTUM (0.40) NOTUMMAPK14LOXL2FAAHMGLL
SCHEMBL3117550 0.79 NOTUM (0.39) NOTUMMAPK14LOXL2BRAFFAAH
SCHEMBL3112557 0.79 CA5A (0.41) NOTUMMAPK14FAAHMGLLCA5A
SCHEMBL3112160 0.78 FAAH (0.46) NOTUMMAPK14FAAHMGLLMIF
SCHEMBL3116268 0.77 PARP15 (0.42) NOTUMMAPK14FAAHMGLL

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 7 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 disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
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
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 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 NOTUM 1897/4885MAPK14 1769/4885LOXL2 3920/4885

“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.