SCHEMBL7215900

SCHEMBL7215900

C1=CN=C(c2ncc[nH]2)NC=C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.37
MTOR P42345 1/20 0.37
ADK P55263 1/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
SMPD3 Q9NY59 1/20 0.30

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
SCHEMBL28645287 0.75
SCHEMBL28827769 0.68 HSP90AA1 (0.33)
SCHEMBL7144083 0.68 NISCH (0.38) NISCHMTORADKALDH1A1KDM4E
SCHEMBL81650 0.67 NISCH (0.59) NISCHMTORADKALDH1A1KDM4E
SCHEMBL28425230 0.65 NISCH (0.56) NISCHMTORADKALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1536214 0.65 NISCH (0.56) NISCHMTORADKALDH1A1KDM4E
SCHEMBL9026316 0.64 NISCH (0.50) NISCHMTORADKALDH1A1KDM4E
SCHEMBL13977589 0.64 NISCH (0.50) NISCHMTORADKALDH1A1KDM4E
SCHEMBL28540342 0.63
SCHEMBL87466 0.62 NISCH (0.54) NISCHMTORADKALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-13 US claimed
EP-2575455-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY The Regents of the University of California (US) 2013-04-10 EP claimed
WO-2011153377-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 WO claimed
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-13 US disclosed
EP-2575455-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY The Regents of the University of California (US) 2013-04-10 EP disclosed
WO-2011153377-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 WO disclosed
US-6620882-B1 Chemical intermediates for imidazoles, pyrazinones, and benzoidiazepinones; drug screening ADVANCED SYNTECH, LLC 2003-09-16 US disclosed
WO-2001083575-A1 A NOVEL SOLID SUPPORT TEMPLATE FOR PREPARATION OF HIGHLY FUNCTIONALIZED HETEROCYCLE COMPOUNDS ADVANCED SYNTECH, LLC A KENTUCKY LIMITED LIABILITY CORPORATION (US) 2001-11-08 WO disclosed
US-4352817-A ANTIDOTE FOR TRANQUILLIZING EFFECTS OF 1,4-BENZODIAZEPINES HOFFMANN-LA ROCHE INC. (US) 1982-10-05 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 (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-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 NISCH 1815/4885MTOR 564/4885ADK 1363/4885

“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.