SCHEMBL21452613

SCHEMBL21452613

CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3ccc(OC(F)(F)F)c(F)c3)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.39
▸ TRPA1 O75762 2/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ AAK1 Q2M2I8 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ P2RX7 Q99572 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ CDK1 P06493 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ CDK3 Q00526 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL21433913 1.00 EPHX2 (0.39) EPHX2TRPA1TRPV4FAAHEGFR
SCHEMBL21452616 0.94 CDK1 (0.41) EPHX2TRPA1TRPV4FAAHEGFR
SCHEMBL21452944 0.94 CDK1 (0.41) EPHX2TRPA1TRPV4FAAHEGFR
SCHEMBL21433953 0.94 CDK1 (0.41) EPHX2TRPA1TRPV4FAAHEGFR
SCHEMBL21434066 0.94 CDK1 (0.41) EPHX2TRPA1TRPV4FAAHEGFR
SCHEMBL21433951 0.94 CDK1 (0.41) EPHX2TRPA1TRPV4FAAHEGFR
SCHEMBL21433984 0.93 CDK9 (0.42) EPHX2TRPA1TRPV4FAAHEGFR
SCHEMBL21452672 0.92 EPHX2 (0.43) EPHX2TRPA1TRPV4FAAHEGFR
SCHEMBL21433996 0.92 EPHX2 (0.43) EPHX2TRPA1TRPV4FAAHEGFR
SCHEMBL21452614 0.92 EPHX2 (0.43) EPHX2TRPA1TRPV4FAAHEGFR

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-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 — — US disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — US disclosed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO disclosed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — US 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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B EPHX2 2087/4885TRPA1 790/4885TRPV4 860/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B EPHX2 2087/4885TRPA1 790/4885TRPV4 860/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B EPHX2 1966/4885TRPA1 875/4885TRPV4 949/4885

“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.

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