SCHEMBL21786542

SCHEMBL21786542

Cn1nc(-c2ccc(OCc3ccc(Cl)cc3)c(-c3cncc(C#N)c3)c2O)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.35
XDH P47989 1/20 0.35
CNR1 P21554 1/20 0.34
CCR5 P51681 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
HRH1 P35367 1/20 0.33
FNTB P49356 1/20 0.33
PTGER1 P34995 5/20 0.33
TBXA2R P21731 4/20 0.33
CTSS P25774 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
ARF6 P62330 1/20 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
SCHEMBL22791300 0.90 ARF6 (0.39) XDHCNR1CCR5PTGER1ARF6
SCHEMBL21786412 0.89 MRGPRX4 (0.40) USP7XDHCNR1CCR5PTGER1
SCHEMBL21786493 0.89 PTGER1 (0.39) CNR1PTGER1TBXA2RHTR2AHTR2C
SCHEMBL22825444 0.87 PTGER1 (0.33) CCR5PTGER1TBXA2RHTR2AHTR2C
SCHEMBL21786498 0.86 SCN9A (0.37) USP7XDHCNR1CCR5
SCHEMBL21786448 0.86 CYP11B1 (0.39) PTGER1TBXA2R
SCHEMBL23913065 0.85 SMN1; SMN2 (0.34) CCR5PTGER1TBXA2RHTR2AHTR2C
SCHEMBL21786434 0.85 USP7 (0.37) USP7XDHSIGMAR1HRH1FNTB
SCHEMBL21786420 0.84 PTPN1 (0.40) CNR1PTGER1MRGPRX4ARF6
SCHEMBL21786446 0.84 PTGER1 (0.40) CNR1CCR5PTGER1

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 4 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
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 USP7 2955/4885XDH 3318/4885CNR1 2368/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 USP7 2955/4885XDH 3318/4885CNR1 2368/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 USP7 2955/4885XDH 3318/4885CNR1 2368/4885

“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.