SCHEMBL4510166

SCHEMBL4510166

c1ccc2c(-c3nnn[nH]3)nccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPY5R Q15761 1/20 0.43
PLAU P00749 2/20 0.42
CYP2A6 P11509 1/20 0.42
F12 P00748 1/20 0.42
NCF1 P14598 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
GPR55 Q9Y2T6 1/20 0.40
PLG P00747 1/20 0.39
MAPK1 P28482 3/20 0.38

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
SCHEMBL199273 0.75 PLAU (0.60) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL29923403 0.75 PLAU (0.60) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL1250423 0.74 KDM4E (0.42) MAPTKDM4ERAB9AL3MBTL1MAPK1
SCHEMBL216707 0.73
SCHEMBL30522769 0.73 PLAU (0.58) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL2837559 0.73 ADORA2A (0.51) MAPTNPC1RAB9AL3MBTL1KMT2A
SCHEMBL1288464 0.72 KMT2A (0.49) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL31595661 0.72 KMT2A (0.49) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL27884143 0.72 MAPT (0.45) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL12223316 0.72 PLAU (0.56) MAPTKDM4ENPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016187521-A1 5-SUBSTITUTED 1 H-TETRAZOLE COMPOUNDS, METHODS OF SYNTHESIZING AND THERAPEUTIC USE SOUTH CONNECTICUT STATE UNIVERSITY (US) 2016-11-24 WO disclosed
US-9266906-B2 Copper(I) complexes for optoelectronic devices CYNORA GMBH (DE) 2016-02-23 US disclosed
US-9266906-B2 Copper(I) complexes for optoelectronic devices CYNORA GMBH (DE) 2016-02-23 US disclosed
EP-2729477-B1 COPPER(I) COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2016-01-20 EP disclosed
US-20140235006-A1 COPPER(I) COMPLEXES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-21 US disclosed
US-20140235006-A1 COPPER(I) COMPLEXES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-21 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-7906038-B2 Aqueous polishing liquid and chemical mechanical polishing method FUJIFILM CORPORATION (JP) 2011-03-15 US disclosed
US-7906038-B2 Aqueous polishing liquid and chemical mechanical polishing method FUJIFILM CORPORATION (JP) 2011-03-15 US disclosed
US-7547335-B2 Metal polishing composition and method of polishing using the same FUJIFILM CORPORATION (JP) 2009-06-16 US disclosed
US-7547335-B2 Metal polishing composition and method of polishing using the same FUJIFILM CORPORATION (JP) 2009-06-16 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
US-20070287362-A1 POLISHING COMPOSITION AND METHOD OF POLISHING WITH THE SAME FUJIFILM CORPORATION 2007-12-13 US disclosed
US-20070287362-A1 POLISHING COMPOSITION AND METHOD OF POLISHING WITH THE SAME FUJIFILM CORPORATION 2007-12-13 US disclosed
US-20070069176-A1 Aqueous polishing liquid and chemical mechanical polishing method FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-20070069176-A1 Aqueous polishing liquid and chemical mechanical polishing method FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
EP-1615894-A2 3-AZABICYCLO 3.2.1 OCTANE DERIVATIVES Pfizer Products Inc. (US) 2006-01-18 EP disclosed
EP-1615643-A1 4-PHENYL-PIPERIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF OPIOID RECEPTORS Pfizer Products Inc. (US) 2006-01-18 EP disclosed
WO-2004089370-A1 4-PHENYL-PIPERIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF OPIOID RECEPTORS PFIZER PRODUCTS INC. (US) 2004-10-21 WO disclosed
WO-2004089908-A2 3-AZABICYCLO[3.2.1]OCTANE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-10-21 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 (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-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC MAPT 1418/4885KDM4E 4801/4885NPC1 3530/4885

“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.