SCHEMBL4264871

SCHEMBL4264871

Nc1ccc(CN2CCCC(CO)C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.70
ALDH1A1 P00352 2/20 0.56
LTA4H P09960 1/20 0.55
GBA1 P04062 2/20 0.50
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.48
MAP4K4 O95819 1/20 0.46
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 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
SCHEMBL6267504 0.86 CYP2D6 (0.72) CYP2D6ALDH1A1LTA4HMAPTGAA
SCHEMBL4591840 0.85 CYP2D6 (0.70) CYP2D6ALDH1A1LTA4HMAPTGAA
SCHEMBL5431804 0.85 CYP2D6 (0.70) CYP2D6ALDH1A1LTA4HMAPTGAA
SCHEMBL5424601 0.85 CYP2D6 (0.70) CYP2D6ALDH1A1LTA4HMAPTGAA
SCHEMBL1944588 0.84 CYP2D6 (0.83) CYP2D6ALDH1A1LTA4HHTTCYP1A2
SCHEMBL7071972 0.84 CYP2D6 (0.83) CYP2D6ALDH1A1LTA4HHTTCYP1A2
SCHEMBL4264868 0.83 CYP2D6 (0.64) CYP2D6ALDH1A1LTA4HGAA
SCHEMBL24023628 0.82 CYP2D6 (1.00) CYP2D6ALDH1A1LTA4HCYP1A2CYP3A4
SCHEMBL20037682 0.82 CYP2D6 (0.59) CYP2D6ALDH1A1LTA4HMAPTGAA
SCHEMBL8326768 0.82 CYP2D6 (0.66) CYP2D6ALDH1A1LTA4HGBA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US claimed
US-7427625-B2 Substituted thiatriazaacenaphthylene-6-carbonitrile kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-23 US claimed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US claimed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US claimed
WO-2007092879-A2 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 WO claimed
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
US-20080300264-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS CONNOLLY PETER J 2008-12-04 US disclosed
US-7427625-B2 Substituted thiatriazaacenaphthylene-6-carbonitrile kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-23 US disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US disclosed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007092879-A2 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 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 (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-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 CYP2D6 2034/4885ALDH1A1 2543/4885LTA4H 1480/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 CYP2D6 641/4885ALDH1A1 924/4885LTA4H 1802/4885
US-20080300264-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 CYP2D6 2034/4885ALDH1A1 2543/4885LTA4H 1480/4885

“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.