SCHEMBL22659819

SCHEMBL22659819

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccc2cc(-c3ccc(F)cn3)cnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.41
▸ HTR2C P28335 3/20 0.41
▸ STIM1 Q13586 2/20 0.39
▸ ORAI1 Q96D31 2/20 0.39
▸ NTRK1 P04629 3/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ PTPN6 P29350 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ BRAF P15056 3/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ KCNT1 Q5JUK3 1/20 0.37
▸ GSK3B P49841 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ ABL1 P00519 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
SCHEMBL22658921 0.90 STIM1 (0.41) MCHR1HTR2CSTIM1ORAI1NTRK1
SCHEMBL22659083 0.90 HTR2C (0.44) MCHR1HTR2CSTIM1ORAI1NTRK1
SCHEMBL24571337 0.87 SCN9A (0.45) STIM1ORAI1NTRK1HPGDSTRPV1
SCHEMBL22659804 0.87 STIM1 (0.39) MCHR1HTR2CSTIM1ORAI1NTRK1
SCHEMBL29405925 0.87 STIM1 (0.39) MCHR1HTR2CSTIM1ORAI1NTRK1
SCHEMBL22659086 0.87 NTRK1 (0.50) NTRK1HPGDS
SCHEMBL22659218 0.86 BRAF (0.39) STIM1ORAI1NTRK1BRAFHPGDS
SCHEMBL22659855 0.86 BRAF (0.42) STIM1ORAI1NTRK1BRAFHPGDS
SCHEMBL22659317 0.86 KCNT1 (0.47) STIM1ORAI1NTRK1BRAFHPGDS
SCHEMBL24571464 0.85 MAPT (0.50) MCHR1HTR2CNTRK1TRPV1

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 MCHR1 584/4885HTR2C 676/4885STIM1 2283/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 MCHR1 584/4885HTR2C 676/4885STIM1 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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