SCHEMBL21434015

SCHEMBL21434015

OC1CCN(c2ccnc(-c3ccc(OC(F)(F)F)c(F)c3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.42
▸ FAAH O00519 1/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ ITGB2 P05107 1/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ ITGAL P20701 1/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ KMO O15229 1/20 0.37
▸ TRPA1 O75762 2/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ CHRM4 P08173 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
SCHEMBL21452938 0.90 MAPK1 (0.39) FAAHFFAR4CHRM2NTRK1TRPA1
SCHEMBL21452940 0.90 ABL1 (0.42) ABL1FAAHCDK1CDK2PDE2A
SCHEMBL21434003 0.88 FAAH (0.41) FAAHKMOTRPA1TRPV4GRM2
SCHEMBL21433991 0.88 SCN9A (0.46) ABL1FFAR4ITGB2ICAM1ITGAL
SCHEMBL21433990 0.85 EPHX2 (0.44) ABL1FFAR4CHRM2NTRK1TRPA1
SCHEMBL21433960 0.85 EPHX2 (0.46) ITGB2ICAM1ITGALTRPA1TRPV4
SCHEMBL21434034 0.85 EPHX2 (0.44) ABL1FFAR4CHRM2NTRK1TRPA1
SCHEMBL21433926 0.84 HTR2B (0.41) FAAHFFAR4PDE2ACHRM2NTRK1
SCHEMBL21452690 0.84 CHEK1 (0.44) ITGB2ICAM1ITGALNTRK1KMO
SCHEMBL21453056 0.84 PDE2A (0.38) ABL1FAAHPDE2ACHRM2TRPA1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — US claimed
EP-3774732-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2021-02-17 — — EP claimed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO claimed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — US claimed
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 — — US disclosed
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
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — US disclosed
EP-3774732-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2021-02-17 — — EP disclosed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO 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
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 ABL1 733/4885FAAH 3070/4885CDK1 1312/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B ABL1 733/4885FAAH 3070/4885CDK1 1312/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B ABL1 739/4885FAAH 2955/4885CDK1 1229/4885

“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.

Send feedback