SCHEMBL21433926

SCHEMBL21433926

Fc1cc(-c2cc(N3CCC(c4ncc[nH]4)CC3)ccn2)ccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 4/20 0.41
▸ GRM2 Q14416 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ LCAT P04180 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ RPS6KA5 O75582 2/20 0.33
▸ RPS6KA4 O75676 2/20 0.33
▸ RPS6KB1 P23443 2/20 0.33
▸ RPS6KA3 P51812 2/20 0.33
▸ RPS6KA2 Q15349 2/20 0.33
▸ RPS6KA1 Q15418 2/20 0.33
▸ RPS6KB2 Q9UBS0 2/20 0.33
▸ RPS6KA6 Q9UK32 2/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ CHRM2 P08172 1/20 0.33

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
SCHEMBL21434015 0.84 ABL1 (0.42) GRM2FAAHNTRK1PDE2AFFAR4
SCHEMBL21434002 0.83 GRM2 (0.35) GRM2FAAHSYKNTRK1LCAT
SCHEMBL21434017 0.83 LCAT (0.35) GRM2FAAHSYKNTRK1LRRK2
SCHEMBL21452938 0.83 MAPK1 (0.39) GRM2FAAHSYKNTRK1FFAR4
SCHEMBL21433999 0.83 ROCK2 (0.37) GRM2FAAHSYKLCATRPS6KB1
SCHEMBL21434003 0.82 FAAH (0.41) GRM2FAAHSYK
SCHEMBL21453054 0.81 NTRK1 (0.36) GRM2FAAHSYKNTRK1LCAT
SCHEMBL21433991 0.80 SCN9A (0.46) NTRK1SCN9AFFAR4CHRM2
SCHEMBL21453056 0.78 PDE2A (0.38) GRM2FAAHSYKLRRK2PDE2A
SCHEMBL21452872 0.77 HRH4 (0.39) GRM2FAAHSYKNTRK1LRRK2

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 HTR2B 25/4885GRM2 9/4885FAAH 3070/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B HTR2B 25/4885GRM2 9/4885FAAH 3070/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B HTR2B 27/4885GRM2 8/4885FAAH 2955/4885

“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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