SCHEMBL22659855

SCHEMBL22659855

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccc2cc(-c3ccncn3)cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 7/20 0.42
▸ STIM1 Q13586 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ KCNT1 Q5JUK3 3/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ KDR P35968 6/20 0.38
▸ TEK Q02763 6/20 0.38
▸ NTRK1 P04629 3/20 0.38
▸ LCK P06239 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL24571216 0.89 KCNT1 (0.46) BRAFSTIM1ORAI1KCNT1HPGDS
SCHEMBL24571337 0.88 SCN9A (0.45) STIM1ORAI1HPGDSNTRK1
SCHEMBL22659819 0.86 MCHR1 (0.41) BRAFSTIM1ORAI1KCNT1HPGDS
SCHEMBL22659086 0.86 NTRK1 (0.50) HPGDSNTRK1
SCHEMBL22659319 0.86 HPGDS (0.42) BRAFSTIM1ORAI1KCNT1HPGDS
SCHEMBL29405919 0.86 HPGDS (0.42) BRAFSTIM1ORAI1KCNT1HPGDS
SCHEMBL22659187 0.85 KCNT1 (0.40) BRAFSTIM1ORAI1KCNT1HPGDS
SCHEMBL29403796 0.84 KCNT1 (0.48) BRAFKCNT1KDRNTRK1LCK
SCHEMBL22659854 0.84 KCNT1 (0.48) BRAFKCNT1KDRNTRK1LCK
SCHEMBL24571213 0.84 NTRK1 (0.47) BRAFSTIM1ORAI1HPGDSNTRK1

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 BRAF 1104/4885STIM1 2283/4885ORAI1 3561/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 BRAF 1104/4885STIM1 2283/4885ORAI1 3561/4885

“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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