SCHEMBL22659317

SCHEMBL22659317

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccc2cc(-c3cccc(F)c3)cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNT1 Q5JUK3 2/20 0.47
▸ STIM1 Q13586 1/20 0.42
▸ ORAI1 Q96D31 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NTRK1 P04629 1/20 0.41
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ LCK P06239 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
SCHEMBL22659076 0.92 WDR5 (0.45) KCNT1STIM1ORAI1MAPTNTRK1
SCHEMBL22659822 0.92 LCK (0.45) LMNAGAANPC1GRIN2BLCK
SCHEMBL24571213 0.91 NTRK1 (0.47) STIM1ORAI1TP53MAPTSMN1; SMN2
SCHEMBL29406420 0.91 NTRK1 (0.47) STIM1ORAI1TP53MAPTSMN1; SMN2
SCHEMBL22659814 0.91 STIM1 (0.44) KCNT1STIM1ORAI1NTRK1GRM5
SCHEMBL22659083 0.90 HTR2C (0.44) STIM1ORAI1TP53MAPTSMN1; SMN2
SCHEMBL22659073 0.89 BRAF (0.40) KCNT1STIM1ORAI1TP53MAPT
SCHEMBL22658921 0.89 STIM1 (0.41) KCNT1STIM1ORAI1TP53MAPT
SCHEMBL22659854 0.88 KCNT1 (0.48) KCNT1NTRK1PDGFRBPDGFRALMNA
SCHEMBL29403796 0.88 KCNT1 (0.48) KCNT1NTRK1PDGFRBPDGFRALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 3974/4885STIM1 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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