SCHEMBL22659319

SCHEMBL22659319

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccc2cc(-c3ncccn3)cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.42
▸ ORAI1 Q96D31 3/20 0.41
▸ STIM1 Q13586 1/20 0.41
▸ NTRK1 P04629 3/20 0.41
▸ BRAF P15056 4/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ WNT1 P04628 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ KCNT1 Q5JUK3 4/20 0.39
▸ KCNQ1 P51787 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ KCNMB1 Q16558 1/20 0.38
▸ KCNT2 Q6UVM3 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL29405919 1.00 HPGDS (0.42) HPGDSORAI1STIM1NTRK1BRAF
SCHEMBL22658921 0.91 STIM1 (0.41) HPGDSORAI1STIM1NTRK1BRAF
SCHEMBL24571337 0.91 SCN9A (0.45) HPGDSORAI1STIM1NTRK1TRPM8
SCHEMBL24571213 0.90 NTRK1 (0.47) HPGDSORAI1STIM1NTRK1BRAF
SCHEMBL29406420 0.90 NTRK1 (0.47) HPGDSORAI1STIM1NTRK1BRAF
SCHEMBL24571216 0.89 KCNT1 (0.46) HPGDSORAI1STIM1NTRK1BRAF
SCHEMBL22659907 0.89 TRPV1 (0.43) HPGDSORAI1STIM1NTRK1BRAF
SCHEMBL22659854 0.89 KCNT1 (0.48) NTRK1BRAFDYRK1AIGF1RKCNT1
SCHEMBL29403796 0.89 KCNT1 (0.48) NTRK1BRAFDYRK1AIGF1RKCNT1
SCHEMBL24571339 0.87 HPGDS (0.46) HPGDSORAI1STIM1NTRK1BRAF

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 HPGDS 29/4885ORAI1 3561/4885STIM1 2283/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 HPGDS 29/4885ORAI1 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.

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