SCHEMBL6800846

SCHEMBL6800846

Nc1cccnc1Nc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK10 P53779 2/20 0.53
GFER P55789 1/20 0.53
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HTT P42858 1/20 0.48
NOD2 Q9HC29 1/20 0.48
PDE10A Q9Y233 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42

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
SCHEMBL11581797 0.79 KMT2A (0.52) GRM5MEN1KMT2AMAPK10GFER
SCHEMBL11718975 0.79 MEN1 (0.47) GRM5MEN1KMT2AMAPK10GFER
SCHEMBL4943709 0.78 MEN1 (0.73) MEN1KMT2AMAPK10GFERNPC1
SCHEMBL19851118 0.78 CA12 (0.63) MEN1KMT2AGFERCA12CA1
SCHEMBL1859867 0.78 CA12 (0.63) MEN1KMT2AGFERCA12CA1
SCHEMBL11555781 0.78 GRM5 (0.66) GRM5MEN1KMT2ACA12CA1
SCHEMBL2501726 0.77 KMT2A (0.70) GRM5MEN1KMT2AMAPK10GFER
SCHEMBL23319547 0.77 GRM5 (0.54) GRM5MEN1KMT2AMAPK10GFER
SCHEMBL5772959 0.77 GRM5 (0.58) GRM5MEN1KMT2AMAPK10GFER
SCHEMBL4242193 0.77 CA12 (0.49) MEN1KMT2AMAPK10CA12CA1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4195088-A ANTISECRETORY AGENTS, ANTIULCER AGENTS, ANOREXIGENIC AGENTS ROUSSEL UCLAF (FR) 1980-03-25 US claimed
EP-0006931-A1 NEW SUBSTITUTED BY-PRODUCTS OF 1,3-DIHYDRO IMIDAZO (4,5-b) PYRIDIN-2-ONE, PROCESS, APPLICATION, COMPOSITIONS AND INTERMEDIATE COMPOUNDS OBTAINED ROUSSEL-UCLAF (FR) 1980-01-23 EP claimed
WO-1979000206-A1 NEW SUBSTITUTED BY-PRODUCTS OF 1,3-DIHYDRO IMIDAZO(4,5-B)PYRIDIN-2-ONE,PROCESS,APPLICATION,COMPOSITIONS AND INTERMEDIATE COMPOUNDS OBTAINED ROUSSEL UCLAF (FR) 1979-04-19 WO claimed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO disclosed
US-4195088-A ANTISECRETORY AGENTS, ANTIULCER AGENTS, ANOREXIGENIC AGENTS ROUSSEL UCLAF (FR) 1980-03-25 US disclosed
EP-0006931-A1 NEW SUBSTITUTED BY-PRODUCTS OF 1,3-DIHYDRO IMIDAZO (4,5-b) PYRIDIN-2-ONE, PROCESS, APPLICATION, COMPOSITIONS AND INTERMEDIATE COMPOUNDS OBTAINED ROUSSEL-UCLAF (FR) 1980-01-23 EP disclosed
WO-1979000206-A1 NEW SUBSTITUTED BY-PRODUCTS OF 1,3-DIHYDRO IMIDAZO(4,5-B)PYRIDIN-2-ONE,PROCESS,APPLICATION,COMPOSITIONS AND INTERMEDIATE COMPOUNDS OBTAINED ROUSSEL UCLAF (FR) 1979-04-19 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 (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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 GRM5 2735/4885MEN1 2411/4885KMT2A 4182/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 GRM5 2614/4885MEN1 2703/4885KMT2A 968/4885

“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.