SCHEMBL21786459

SCHEMBL21786459

CN/N=C(\C)c1cccc(-c2c(OCc3ccc(Cl)cc3)ccc(-c3cc(C(F)(F)F)nn3C)c2O)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
MAPT P10636 2/20 0.34
PTGER1 P34995 12/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
CCR5 P51681 2/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL22790984 0.92 STIM1 (0.40) STIM1ORAI1MAPTMRGPRX4CCR5
SCHEMBL22790980 0.87 PTGER1 (0.35) MAPTPTGER1MRGPRX4NPC1GAA
SCHEMBL21786460 0.86 PTGER1 (0.42) STIM1ORAI1PTGER1MRGPRX4CYP2C9
SCHEMBL21786411 0.85 KCNT1 (0.36) STIM1ORAI1PTGER1MRGPRX4
SCHEMBL21786530 0.85 MAPT (0.40) STIM1ORAI1MAPTMRGPRX4
SCHEMBL22791090 0.83 MRGPRX4 (0.36) MAPTPTGER1MRGPRX4CCR5CYP2C9
SCHEMBL23913085 0.82 MRGPRX4 (0.40) PTGER1MRGPRX4NPC1CCR5CYP2C9
SCHEMBL21786450 0.81 CYP11B1 (0.39) STIM1ORAI1PTGER1CYP2C9
SCHEMBL21786589 0.81 STIM1 (0.37) STIM1ORAI1MRGPRX4CYP2C9
SCHEMBL21786416 0.81 SLC6A4 (0.41) STIM1ORAI1PTGER1MRGPRX4CYP2C9

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-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 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 (3 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 STIM1 3524/4885ORAI1 4867/4885MAPT 3689/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 STIM1 3524/4885ORAI1 4867/4885MAPT 3689/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 STIM1 3524/4885ORAI1 4867/4885MAPT 3689/4885

“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.