SCHEMBL22659336

SCHEMBL22659336

Cc1ccc(-c2cnc3cc(C(=O)Nc4cc(C(F)(F)F)nn4C)ccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.44
▸ MCHR1 Q99705 2/20 0.44
▸ BRAF P15056 6/20 0.43
▸ HDAC3 O15379 3/20 0.42
▸ HDAC4 P56524 3/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC7 Q8WUI4 3/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ HDAC10 Q969S8 3/20 0.42
▸ HDAC11 Q96DB2 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC9 Q9UKV0 3/20 0.42
▸ HDAC5 Q9UQL6 3/20 0.42
▸ NCOR2 Q9Y618 3/20 0.42
▸ STIM1 Q13586 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ RAB9A P51151 2/20 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
SCHEMBL22659083 0.92 HTR2C (0.44) HTR2CMCHR1BRAFSTIM1ORAI1
SCHEMBL22659115 0.92 ESR2 (0.45) BRAFHDAC4STIM1ORAI1GSK3B
SCHEMBL24571213 0.91 NTRK1 (0.47) HTR2CMCHR1BRAFSTIM1ORAI1
SCHEMBL29406420 0.91 NTRK1 (0.47) HTR2CMCHR1BRAFSTIM1ORAI1
SCHEMBL24571216 0.90 KCNT1 (0.46) BRAFSTIM1ORAI1HPGDSNTRK1
SCHEMBL22659076 0.90 WDR5 (0.45) BRAFSTIM1ORAI1RAB9AWDR5
SCHEMBL24571801 0.89 SMN1; SMN2 (0.45) HPGDS
SCHEMBL29405919 0.87 HPGDS (0.42) BRAFSTIM1ORAI1DYRK1AHPGDS
SCHEMBL22659319 0.87 HPGDS (0.42) BRAFSTIM1ORAI1DYRK1AHPGDS
SCHEMBL22659053 0.87 DYRK1A (0.49) GSK3BDYRK1A

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 HTR2C 676/4885MCHR1 584/4885BRAF 1104/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 HTR2C 676/4885MCHR1 584/4885BRAF 1104/4885

“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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