SCHEMBL405809

SCHEMBL405809

COC(=O)Nc1cc(Cl)c(C)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.44
RPS6KA3 P51812 2/20 0.44
SRPK1 Q96SB4 2/20 0.44
IKBKB O14920 1/20 0.44
AURKA O14965 1/20 0.44
DCLK1 O15075 1/20 0.44
RPS6KA5 O75582 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
RET P07949 1/20 0.44
PHKG2 P15735 1/20 0.44
CDK2 P24941 1/20 0.44
FLT4 P35916 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3B P49841 1/20 0.44
IRAK1 P51617 1/20 0.44
CSNK1G2 P78368 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
PIM3 Q86V86 1/20 0.44

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
SCHEMBL404545 0.89 ALDH1A1 (0.43) CHEK1RPS6KA3SRPK1IKBKBAURKA
SCHEMBL405867 0.81 NLRP3 (0.49) ALDH1A1HPGDGAAKDM4ENLRP3
SCHEMBL406036 0.81 MRGPRX4 (0.39) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL10285830 0.80 MAPT (0.43) ALDH1A1HPGDGAAKDM4ELMNA
SCHEMBL405736 0.77 ALDH1A1 (0.55) CHEK1ALDH1A1HPGDGAAKDM4E
SCHEMBL404789 0.77 HPGD (0.47) CHEK1ALDH1A1HPGDGAAKDM4E
SCHEMBL404693 0.76 HPGD (0.64) ALDH1A1HPGDGAAKDM4ENLRP3
SCHEMBL404755 0.76 HPGD (0.64) ALDH1A1HPGDGAAKDM4ENLRP3
SCHEMBL13334404 0.75 HPGD (0.52) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL406327 0.74 HPGD (0.47) ALDH1A1HPGDGAAKDM4ENLRP3

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CHEK1 2106/4885RPS6KA3 3441/4885SRPK1 4784/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CHEK1 2106/4885RPS6KA3 3441/4885SRPK1 4784/4885

“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.