SCHEMBL22659187

SCHEMBL22659187

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccc2cc(-c3ccncc3F)cnc2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNT1 Q5JUK3 2/20 0.40
▸ ORAI1 Q96D31 5/20 0.39
▸ STIM1 Q13586 3/20 0.39
▸ TRPC1 P48995 1/20 0.39
▸ TRPC3 Q13507 1/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ BRAF P15056 2/20 0.38
▸ NTRK1 P04629 3/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ CRACR2A Q9BSW2 2/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ POLB P06746 1/20 0.36

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
SCHEMBL24571432 0.89 NTRK1 (0.42) ORAI1STIM1BRAFNTRK1CRACR2A
SCHEMBL22659804 0.89 STIM1 (0.39) KCNT1ORAI1STIM1HPGDSBRAF
SCHEMBL29405925 0.89 STIM1 (0.39) KCNT1ORAI1STIM1HPGDSBRAF
SCHEMBL24571228 0.88 STIM1 (0.42) KCNT1ORAI1STIM1HPGDSBRAF
SCHEMBL24571216 0.88 KCNT1 (0.46) KCNT1ORAI1STIM1HPGDSBRAF
SCHEMBL22659854 0.85 KCNT1 (0.48) KCNT1BRAFNTRK1FLT3
SCHEMBL29403796 0.85 KCNT1 (0.48) KCNT1BRAFNTRK1FLT3
SCHEMBL22659319 0.85 HPGDS (0.42) KCNT1ORAI1STIM1HPGDSBRAF
SCHEMBL29405919 0.85 HPGDS (0.42) KCNT1ORAI1STIM1HPGDSBRAF
SCHEMBL22659299 0.85 NTRK1 (0.49) ORAI1STIM1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12312337-B2 Compounds and methods for treating cancer ANTIDOTE IP HOLDINGS, LLC (US) 2025-05-27 — — US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US disclosed
EP-3966208-A2 COMPOUNDS AND METHODS FOR TREATING CANCER Antidote IP Holdings, LLC (US) 2022-03-16 — — EP disclosed
WO-2020231739-A2 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC (US) 2020-11-19 — — 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-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 KCNT1 3974/4885ORAI1 3561/4885STIM1 2283/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 KCNT1 3974/4885ORAI1 3561/4885STIM1 2283/4885

“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.

Send feedback