SCHEMBL21433915

SCHEMBL21433915

CCc1nc(-c2ccc(OC(F)(F)F)cc2)cc(N2CCC(C(N)=O)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ MCHR1 Q99705 2/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ ABL1 P00519 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ PPARD Q03181 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MCHR2 Q969V1 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.40

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
SCHEMBL21434128 0.87 SCN9A (0.48) SCN9APKMMCHR1SMN1; SMN2RAB9A
SCHEMBL21433983 0.85 SMN1; SMN2 (0.51) SCN9APKMMCHR1SMN1; SMN2RAB9A
SCHEMBL21453037 0.84 HRH4 (0.38) SCN9AMCHR1ABL1PPARDMCHR2
SCHEMBL21433958 0.84 SCN9A (0.48) SCN9APKMMCHR1SMN1; SMN2RAB9A
SCHEMBL21434158 0.82 TP53 (0.48) MCHR1PPARDKDM4ELMNAADORA3
SCHEMBL21433972 0.81 ITGB2 (0.54) SCN9AMCHR1SMN1; SMN2RAB9AABL1
SCHEMBL21452924 0.80 MCHR1 (0.43) SCN9APKMMCHR1SMN1; SMN2RAB9A
SCHEMBL21434071 0.76 TDP1 (0.46) SCN9APKMMCHR1SMN1; SMN2RAB9A
SCHEMBL2558990 0.75 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL31381264 0.74 ABL1 (0.67) MCHR1SMN1; SMN2RAB9AABL1KDM4E

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-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 — — 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 SCN9A 829/4885PKM 2548/4885MCHR1 2148/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B SCN9A 829/4885PKM 2548/4885MCHR1 2148/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B SCN9A 729/4885PKM 2349/4885MCHR1 2227/4885

“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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