SCHEMBL21786412

SCHEMBL21786412

Cn1nc(-c2ccc(OCc3ccc(Cl)cc3)c(-c3cccc(C#N)c3)c2O)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.40
PTGER1 P34995 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
PSD A5PKW4 1/20 0.36
CCR5 P51681 1/20 0.36
ALOX5 P09917 1/20 0.36
ALOX5AP P20292 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CNR1 P21554 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CNR2 P34972 1/20 0.35
KCNH2 Q12809 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE3A Q14432 1/20 0.35
RORC P51449 1/20 0.34
USP7 Q93009 1/20 0.34

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
SCHEMBL22791300 0.91 ARF6 (0.39) PTGER1PSDCCR5CNR1XDH
SCHEMBL21786627 0.90 MAPT (0.41) MRGPRX4PTGER1LRRK2SLC6A4
SCHEMBL21786542 0.89 USP7 (0.35) MRGPRX4PTGER1CCR5CNR1USP7
SCHEMBL23913085 0.86 MRGPRX4 (0.40) MRGPRX4PTGER1PTGDR2CCR5ALOX5
SCHEMBL21786448 0.85 CYP11B1 (0.39) PTGER1PSDRAB9ALRRK2CYP2C9
SCHEMBL21786420 0.85 PTPN1 (0.40) MRGPRX4PTGER1PTGDR2CNR1SLC6A4
SCHEMBL21786590 0.85 NPSR1 (0.36) MRGPRX4PTGER1CNR1SLC6A4
SCHEMBL21786446 0.85 PTGER1 (0.40) PTGER1CCR5RAB9ALRRK2CNR1
SCHEMBL23913071 0.85 PTGER1 (0.43) MRGPRX4PTGER1PTGDR2PSDCCR5
SCHEMBL22790970 0.85 CTSS (0.38) MRGPRX4PTGER1PTGDR2

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 MRGPRX4 3150/4885PTGER1 4862/4885PTGDR2 4007/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 MRGPRX4 3150/4885PTGER1 4862/4885PTGDR2 4007/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 MRGPRX4 3150/4885PTGER1 4862/4885PTGDR2 4007/4885

“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.