SCHEMBL21452690

SCHEMBL21452690

CC(=O)N1CCN(c2ccnc(-c3ccc(OC(F)(F)F)c(F)c3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.44
▸ ENPP2 Q13822 3/20 0.43
▸ ITGB2 P05107 2/20 0.41
▸ ICAM1 P05362 2/20 0.41
▸ ITGAL P20701 2/20 0.41
▸ ALK Q9UM73 4/20 0.40
▸ WNT3A P56704 3/20 0.40
▸ RORC P51449 3/20 0.40
▸ PLK1 P53350 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ KMO O15229 1/20 0.39

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
SCHEMBL21434074 0.88 CYP2C9 (0.38) ENPP2NTRK1KMO
SCHEMBL21452587 0.86 ALK (0.48) CHEK1ALK
SCHEMBL21452667 0.85 ENPP2 (0.48) CHEK1ENPP2RORC
SCHEMBL21433990 0.84 EPHX2 (0.44) NTRK1
SCHEMBL21433960 0.84 EPHX2 (0.46) ITGB2ICAM1ITGAL
SCHEMBL21434015 0.84 ABL1 (0.42) ITGB2ICAM1ITGALNTRK1KMO
SCHEMBL21434003 0.84 FAAH (0.41) KMO
SCHEMBL21452702 0.84 ITGB2 (0.52) ITGB2ICAM1ITGALKMO
SCHEMBL21433991 0.84 SCN9A (0.46) ITGB2ICAM1ITGALNTRK1
SCHEMBL21452938 0.83 MAPK1 (0.39) WNT3ANTRK1

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 3 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 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 (2 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 CHEK1 4071/4885ENPP2 2020/4885ITGB2 1763/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B CHEK1 4154/4885ENPP2 1664/4885ITGB2 1693/4885

“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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