SCHEMBL1136475

SCHEMBL1136475

CN(C)c1cc(NS(=O)(=O)c2ccc(N)cc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.52
AURKA O14965 2/20 0.51
CDC7 O00311 1/20 0.51
EEF2K O00418 1/20 0.51
PLK4 O00444 1/20 0.51
DYRK3 O43781 1/20 0.51
RPS6KA5 O75582 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PIM1 P11309 1/20 0.51
PHKG2 P15735 1/20 0.51
CDK2 P24941 1/20 0.51
AKT1 P31749 1/20 0.51
AKT2 P31751 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPKAPK2 P49137 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
RPS6KA3 P51812 1/20 0.51
PRKX P51817 1/20 0.51

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
Hydrochloric Acid SCHEMBL8043496 0.99 HTR6 (0.51) HTR6AURKACDC7EEF2KPLK4
SCHEMBL7835853 0.85 AURKA (0.50) HTR6AURKACDC7EEF2KPLK4
Hydrochloric Acid SCHEMBL8056242 0.85 ALDH1A1 (0.56) MAPTLMNAKMT2AHTTALDH1A1
SCHEMBL7824897 0.84 HTR6 (0.62) HTR6AURKACDC7EEF2KPLK4
SCHEMBL8054939 0.79 MAPT (0.70) HTR6AURKAMAPTCYP2C9DHFR
SCHEMBL7835318 0.79 HTR6 (0.72) HTR6AURKACDC7EEF2KPLK4
SCHEMBL1136466 0.78 CYP2C19 (0.64) HTR6AURKAMAPTCYP2C9DHFR
SCHEMBL2176844 0.78 CYP2C19 (0.64) HTR6AURKACDC7EEF2KPLK4
SCHEMBL8054942 0.77 LMNA (0.62) MAPTLMNATSHRALDH1A1CYP3A4
SCHEMBL7825072 0.77 HTR6 (0.78) HTR6AURKACDC7EEF2KPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799306-B1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2011-02-23 EP claimed
EP-1799306-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-06-27 EP claimed
WO-2006037482-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO claimed
US-20060069094-A1 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC 2006-03-30 US claimed
EP-0815861-B1 Sulphonamides and their use HOFFMANN LA ROCHE (CH) 2001-09-19 EP claimed
EP-0815861-A1 Sulphonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 EP claimed
EP-2301625-B1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
EP-2301625-A2 Compositions and methods for treating cognitive disorders F. Hoffmann-La Roche AG (CH) 2011-03-30 EP disclosed
EP-1799306-B1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
EP-1799306-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-06-27 EP disclosed
WO-2006037482-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
US-20060069094-A1 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC 2006-03-30 US disclosed
EP-0815861-B1 Sulphonamides and their use HOFFMANN LA ROCHE (CH) 2001-09-19 EP disclosed
US-6030976-A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS; ALZHEIMER'S DISEASE, PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, MEMORY DISORDERS, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS AND HUNTINGTON'S DISEASE HOFFMAN-LA ROCHE INC. (US) 2000-02-29 US disclosed
US-5998665-A THERAPY FOR NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-12-07 US disclosed
US-5939451-A INDOL-4-YL-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-17 US disclosed
US-5932599-A 4-AMINO-N-(PYRIDINYL-4-YL)-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-03 US disclosed
EP-0815861-A1 Sulphonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 EP 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-20060069094-A1 Compositions and methods for treating cognitive disorders HTR6, HTR2A, HTR2C HTR6 1/4885AURKA 4392/4885CDC7 3260/4885

“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.