SCHEMBL1312499

SCHEMBL1312499

CC(C(N)=O)n1nnc2ccc(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.43
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
MAPK14 Q16539 1/20 0.42
KCNMA1 Q12791 2/20 0.41
CLK1 P49759 1/20 0.40
KMT2A Q03164 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
FGFR1 P11362 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK1G2 P78368 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
AURKB Q96GD4 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37

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
SCHEMBL1311521 0.89 KCNMA1 (0.50) HCAR3HPGDHCAR2KCNMA1CLK1
SCHEMBL19848372 0.80 MAPK14 (0.58) HCAR3HPGDHCAR2MAPK14CLK1
SCHEMBL2069140 0.79 HSD17B10 (0.50) HCAR3HPGDHCAR2KMT2AMGAM
SCHEMBL22781912 0.75 MAPK14 (0.43) HCAR3HPGDHCAR2MAPK14CLK1
SCHEMBL19911628 0.75 HCAR3 (0.55) HCAR3HPGDHCAR2MAPK14CLK1
SCHEMBL6155966 0.72 GAA (0.49) HPGDKCNMA1KMT2AMGAMAMY1A
SCHEMBL20888878 0.72 MAPK14 (0.39) HCAR3HPGDHCAR2MAPK14KCNMA1
SCHEMBL1311460 0.71 HCAR3 (0.49) HCAR3HPGDHCAR2KCNMA1KMT2A
SCHEMBL1312538 0.71 HCAR3 (0.49) HCAR3HPGDHCAR2KCNMA1KMT2A
SCHEMBL19911626 0.71 KMT2A (0.48) HPGDKCNMA1KMT2AMGAMAMY1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387568-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NeuroSearch A/S (DK) 2011-11-23 EP claimed
US-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2011-11-10 US claimed
US-8040036-B2 Organic light emitting device and method for manufacturing the same LG CHEM, LTD. (KR) 2011-10-18 US claimed
WO-2010081898-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-07-22 WO claimed
EP-2387568-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NeuroSearch A/S (DK) 2011-11-23 EP disclosed
US-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2011-11-10 US disclosed
US-8040036-B2 Organic light emitting device and method for manufacturing the same LG CHEM, LTD. (KR) 2011-10-18 US disclosed
WO-2010081898-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-07-22 WO 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 (1 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-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS GABBR1, ABAT, GABBR2 HCAR3 541/4885HPGD 2292/4885HCAR2 316/4885

“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.