SCHEMBL22659083

SCHEMBL22659083

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccc2cc(-c3ccc(F)cc3)cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.44
▸ MCHR1 Q99705 4/20 0.44
▸ NTRK1 P04629 2/20 0.42
▸ GSK3B P49841 3/20 0.41
▸ DYRK1A Q13627 3/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ STIM1 Q13586 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ GRIN2B Q13224 3/20 0.40
▸ ULK1 O75385 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL22659162 0.92 BRAF (0.47) HTR2CMCHR1GSK3BDYRK1AWNT1
SCHEMBL22659336 0.92 HTR2C (0.44) HTR2CMCHR1NTRK1GSK3BDYRK1A
SCHEMBL29405932 0.92 BRAF (0.47) HTR2CMCHR1GSK3BDYRK1AWNT1
SCHEMBL22659115 0.92 ESR2 (0.45) NTRK1GSK3BDYRK1AWNT1STIM1
SCHEMBL24571213 0.91 NTRK1 (0.47) HTR2CMCHR1NTRK1STIM1ORAI1
SCHEMBL29406420 0.91 NTRK1 (0.47) HTR2CMCHR1NTRK1STIM1ORAI1
SCHEMBL22659317 0.90 KCNT1 (0.47) NTRK1ABL1STIM1ORAI1GRIN2B
SCHEMBL22658921 0.90 STIM1 (0.41) HTR2CMCHR1NTRK1GSK3BDYRK1A
SCHEMBL24571216 0.90 KCNT1 (0.46) NTRK1STIM1ORAI1HPGDSBRAF
SCHEMBL22659819 0.90 MCHR1 (0.41) HTR2CMCHR1NTRK1GSK3BDYRK1A

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 HTR2C 676/4885MCHR1 584/4885NTRK1 2504/4885

“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.

Send feedback