SCHEMBL21452667

SCHEMBL21452667

CC(=O)N1CCN(c2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.48
▸ SCN10A Q9Y5Y9 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ RORC P51449 2/20 0.46
▸ TACR3 P29371 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ KDM5A P29375 1/20 0.44
▸ KDM2B Q8NHM5 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ KDM5B Q9UGL1 1/20 0.44
▸ SLC6A7 Q99884 1/20 0.44
▸ PORCN Q9H237 1/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.42
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL21434032 0.87 SCN10A (0.46) ENPP2SCN10AHDAC1TACR3KDM5A
SCHEMBL21452690 0.85 CHEK1 (0.44) ENPP2RORCCHEK1
SCHEMBL21434058 0.82 SMPD3 (0.51) SCN10AHDAC1EPHX1EPHX2ADORA3
SCHEMBL14437994 0.80 KCNA5 (0.61) ENPP2RORCKCNA5EPHX1EPHX2
SCHEMBL21452612 0.76 CHEK1 (0.47) CHEK1
SCHEMBL21452587 0.74 ALK (0.48) CHEK1
SCHEMBL21434074 0.73 CYP2C9 (0.38) ENPP2HDAC1EPHX2TRPV1
SCHEMBL27106846 0.73 WNT3A (0.52) CHEK1KDM4EMAPT
SCHEMBL6180227 0.72 SCN10A (0.58) SCN10AKDM5AKDM2BKDM4CKDM5B
SCHEMBL25002931 0.71 SCN10A (0.67) SCN10AHDAC1KDM5AKDM2BKDM4C

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 ENPP2 2020/4885SCN10A 371/4885HDAC1 961/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B ENPP2 2020/4885SCN10A 371/4885HDAC1 961/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B ENPP2 1664/4885SCN10A 347/4885HDAC1 937/4885

“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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