SCHEMBL17077800

SCHEMBL17077800

CC(=O)c1ccc(Nc2nc(C(F)(F)F)ccc2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.46
▸ CHEK1 O14757 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TTBK1 Q5TCY1 1/20 0.43
▸ TTBK2 Q6IQ55 1/20 0.43
▸ PTK2 Q05397 2/20 0.42
▸ HTT P42858 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GUSB P08236 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL17077889 0.81 MEN1 (0.51) SYKCHEK1FLT3NPC1RAB9A
SCHEMBL17077860 0.80 NPC1 (0.55) NPC1RAB9ATTBK1TTBK2HTT
SCHEMBL17077872 0.79 RAB9A (0.47) NPC1RAB9ATTBK1TTBK2HTT
SCHEMBL13730254 0.78 MAPT (0.44) SYKHTTKDM4EALDH1A1MAPT
SCHEMBL849309 0.72 SYK (0.44) SYKNPC1RAB9AKDM4EALDH1A1
SCHEMBL6803840 0.71 CA12 (0.58) NPC1RAB9ATTBK1TTBK2HTT
SCHEMBL1821848 0.71 ALOX5 (0.60) NPC1RAB9AHTTKDM4EALDH1A1
SCHEMBL10280708 0.71 MAT2A (0.40) SYKKDM4EALDH1A1MAPT
SCHEMBL29305792 0.69 SYK (0.44) SYKNPC1RAB9AKDM4EMAPT
SCHEMBL27226540 0.69 MEN1 (0.51) NPC1RAB9APTK2KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116858-B1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2020-11-11 — — EP disclosed
EP-3116858-B1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2020-11-11 — — EP disclosed
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2018-11-29 — — US disclosed
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists RAQUALIA PHARMA INC. (JP) 2018-10-09 — — US disclosed
EP-3116858-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RaQualia Pharma Inc. (JP) 2017-01-18 — — EP disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 — — US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 — — US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 — — US disclosed
WO-2015136947-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2015-09-17 — — 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 (3 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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 SYK 3920/4885CHEK1 2105/4885FLT3 1579/4885
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists TRPM8, TRPM7, TRPM5 SYK 3920/4885CHEK1 2105/4885FLT3 1579/4885
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM6 SYK 4007/4885CHEK1 2110/4885FLT3 1523/4885

“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.

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