SCHEMBL22659162

SCHEMBL22659162

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 11/20 0.47
▸ HTR2C P28335 2/20 0.44
▸ MCHR1 Q99705 2/20 0.44
▸ KDM1A O60341 1/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ DYRK1A Q13627 2/20 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
▸ GRIN2B Q13224 1/20 0.40

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
SCHEMBL29405932 1.00 BRAF (0.47) BRAFHTR2CMCHR1KDM1AMAPK14
SCHEMBL22659083 0.92 HTR2C (0.44) BRAFHTR2CMCHR1GSK3BDYRK1A
SCHEMBL22659082 0.90 MAPK14 (0.53) BRAFHTR2CMCHR1KDM1AMAPK14
SCHEMBL22659007 0.90 BRAF (0.45) BRAFHTR2CMCHR1KDM1AMAPK14
SCHEMBL22659336 0.86 HTR2C (0.44) BRAFHTR2CMCHR1GSK3BDYRK1A
SCHEMBL29403296 0.86 BRAF (0.46) BRAFKDM1AMAPK14GRIN2B
SCHEMBL22659199 0.86 BRAF (0.46) BRAFKDM1AMAPK14GRIN2B
SCHEMBL22659115 0.84 ESR2 (0.45) BRAFMAPK14GSK3BDYRK1AWNT1
SCHEMBL24571213 0.83 NTRK1 (0.47) BRAFHTR2CMCHR1MAPK14
SCHEMBL29406420 0.83 NTRK1 (0.47) BRAFHTR2CMCHR1MAPK14

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 BRAF 1104/4885HTR2C 676/4885MCHR1 584/4885

“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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