SCHEMBL22659840

SCHEMBL22659840

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccc2cc(-c3nccs3)cnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 3/20 0.41
▸ STIM1 Q13586 1/20 0.41
▸ HPGDS O60760 2/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ BRAF P15056 2/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KCNT1 Q5JUK3 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 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
SCHEMBL29406502 1.00 ORAI1 (0.41) ORAI1STIM1HPGDSNTRK1ALDH1A1
SCHEMBL24571296 0.86 PDGFRB (0.47) ORAI1STIM1HPGDSNTRK1BRAF
SCHEMBL29405919 0.86 HPGDS (0.42) ORAI1STIM1HPGDSNTRK1BRAF
SCHEMBL22659319 0.86 HPGDS (0.42) ORAI1STIM1HPGDSNTRK1BRAF
SCHEMBL24571338 0.85 STIM1 (0.42) ORAI1STIM1NTRK1ALDH1A1KCNT1
SCHEMBL24571216 0.85 KCNT1 (0.46) ORAI1STIM1HPGDSNTRK1BRAF
SCHEMBL24571213 0.84 NTRK1 (0.47) ORAI1STIM1HPGDSNTRK1BRAF
SCHEMBL29406420 0.84 NTRK1 (0.47) ORAI1STIM1HPGDSNTRK1BRAF
SCHEMBL24571342 0.84 GSK3B (0.44) ORAI1STIM1BRAFWNT1
SCHEMBL24571339 0.83 HPGDS (0.46) ORAI1STIM1HPGDSNTRK1BRAF

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

“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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