SCHEMBL4711036

SCHEMBL4711036

Cc1cccc(C#Cc2cccc(N)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
PKM P14618 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
CYP2C19 P33261 1/20 0.67
THPO P40225 1/20 0.67
KMT2A Q03164 1/20 0.67
GRIN2B Q13224 1/20 0.67
GRM1 Q13255 1/20 0.67

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
SCHEMBL4713737 0.83 GRM5 (0.71) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4712865 0.81 GRM5 (0.68) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL103061 0.80 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29355216 0.80 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4712241 0.80 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4710415 0.80 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4710830 0.80 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4712585 0.80 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4711543 0.80 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4711547 0.80 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP claimed
EP-0998459-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2000-05-10 EP claimed
WO-1999002497-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 1999-01-21 WO claimed
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-17 US disclosed
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-17 US disclosed
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-7700616-B2 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. (US) 2010-04-20 US disclosed
US-7700616-B2 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. (US) 2010-04-20 US disclosed
WO-2008118122-A2 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC (US) 2008-10-02 WO disclosed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed
US-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. 2007-11-08 US disclosed
US-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. 2007-11-08 US disclosed
US-6656957-B1 Marked and selective modulating, especially antagonistic, action at human metabotropic glutamate receptors (mGluRs); treatment of disorders such as epilepsy, cerebral ischemias, especially acute ischemias, spasticity etc. NOVARTIS AG (CH) 2003-12-02 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 (4 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-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses APP, BACE1, BACE2 GRM5 1935/4885NPC1 160/4885RAB9A 4657/4885
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 GRM5 1935/4885NPC1 160/4885RAB9A 4657/4885
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 GRM5 1935/4885NPC1 160/4885RAB9A 4657/4885
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 GRM5 1935/4885NPC1 160/4885RAB9A 4657/4885

“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.