SCHEMBL24925873

SCHEMBL24925873

COCOc1cc(C(F)(F)F)c(F)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KIF11 P52732 1/20 0.31
MAPT P10636 1/20 0.31
USP28 Q96RU2 1/20 0.30
USP25 Q9UHP3 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL29775354 0.81 HTR2A (0.45) HTR2AHTR2CNOTUMCYP11B1CYP11B2
SCHEMBL23326300 0.81 HTR2A (0.45) HTR2AHTR2CNOTUMCYP11B1CYP11B2
SCHEMBL31167218 0.81 ALDH1A1 (0.34) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL31335940 0.81 KDM4E (0.32) HTR2AKDM4EALDH1A1MAPT
SCHEMBL4520961 0.77 HTR2A (0.33) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL29447054 0.77 HTR2A (0.33) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL15980355 0.76 HTR2A (0.39) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL26932098 0.75 HTR2A (0.42) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL25338016 0.74 NOTUM (0.33) HTR2AHTR2CNOTUM
SCHEMBL29490991 0.74 NOTUM (0.33) HTR2AHTR2CNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 US disclosed
WO-2023003002-A1 ANNULATED PYRIDAZINE COMPOUND アステラス製薬株式会社 2023-01-26 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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NLRP3, NLRP1, PYCARD HTR2A 493/4885HTR2C 988/4885NOTUM 810/4885

“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.