SCHEMBL22825614

SCHEMBL22825614

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)c(-c2cncc(C=N)c2)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
TBXA2R P21731 3/20 0.33
PTGER1 P34995 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
TACR2 P21452 1/20 0.32
SCN9A Q15858 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SLC6A4 P31645 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32

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
SCHEMBL21786497 0.89 PTGER1 (0.39) STIM1ORAI1TBXA2RPTGER1HTR2A
SCHEMBL21786498 0.86 SCN9A (0.37) STIM1ORAI1SCN9ACNR1
SCHEMBL21786450 0.86 CYP11B1 (0.39) STIM1ORAI1PTGER1MEN1KMT2A
SCHEMBL22825444 0.85 PTGER1 (0.33) TBXA2RPTGER1HTR2AHTR2CTACR2
SCHEMBL22825391 0.85 SCN9A (0.33) STIM1ORAI1SCN9ANPC1ALDH1A1
SCHEMBL21786589 0.84 STIM1 (0.37) STIM1ORAI1HTR2AHTR2CSCN9A
SCHEMBL21786416 0.84 SLC6A4 (0.41) STIM1ORAI1PTGER1SLC6A4CYP3A4
SCHEMBL22825554 0.84 SPHK2 (0.35) STIM1ORAI1SCN9APTGS1PTGS2
SCHEMBL23913083 0.83 SMN1; SMN2 (0.38) STIM1ORAI1TACR2SCN9AMEN1
SCHEMBL21786475 0.83 TBXA2R (0.35) TBXA2RPTGER1MEN1KMT2ASMN1; SMN2

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-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 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-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 STIM1 3524/4885ORAI1 4867/4885TBXA2R 3168/4885

“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.