SCHEMBL21452668

SCHEMBL21452668

CC(=O)N1CCN(Cc2ccnc(-c3ccc(OC(F)(F)F)c(F)c3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.46
▸ RORC P51449 1/20 0.44
▸ KDR P35968 2/20 0.44
▸ WNK1 Q9H4A3 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ TBK1 Q9UHD2 5/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ MGLL Q99685 2/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ ICAM1 P05362 1/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ IKBKE Q14164 2/20 0.39
▸ RPS6KA6 Q9UK32 2/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 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
SCHEMBL21452669 0.89 USP2 (0.39) RORCKDRNTRK1
SCHEMBL21452690 0.83 CHEK1 (0.44) RORCNTRK1ICAM1
SCHEMBL21452942 0.79 EPHX2 (0.48) KDRNTRK1
SCHEMBL21452702 0.77 ITGB2 (0.52) ICAM1
SCHEMBL21434074 0.76 CYP2C9 (0.38) KDRNTRK1
SCHEMBL21434112 0.75 TRPA1 (0.40) KDRNTRK1
SCHEMBL21433990 0.74 EPHX2 (0.44) NTRK1CHRM2CHRM5
SCHEMBL21434014 0.74 EGFR (0.40) KDRNTRK1
SCHEMBL21434077 0.73 TRPA1 (0.42) —
SCHEMBL12606995 0.71 HRH3 (0.55) HRH3RORCKDRMEN1KMT2A

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 2 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
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 HRH3 292/4885RORC 179/4885KDR 620/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B HRH3 288/4885RORC 218/4885KDR 579/4885

“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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