SCHEMBL349435

SCHEMBL349435

O=[C]Nc1cccc2[nH]ccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
HTR6 P50406 1/20 0.48
DHPS P49366 8/20 0.46
AHR P35869 1/20 0.46
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
CCR4 P51679 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
PIK3CD O00329 1/20 0.39
MAPK14 Q16539 3/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL5512885 0.77 STING1 (0.46) AHR
SCHEMBL2713353 0.75 MAPK1 (0.56) MAPK1HTR6DHPSAHREGFR
SCHEMBL349436 0.74 MAPK1 (0.51) MAPK1HTR6DHPSAHREGFR
SCHEMBL28743516 0.74 MAPK1 (0.51) MAPK1HTR6DHPSAHREGFR
Hydrochloric Acid SCHEMBL27532366 0.73 MAPK1 (0.54) MAPK1HTR6DHPSAHREGFR
SCHEMBL28228531 0.73 MAPK1 (0.50) MAPK1HTR6DHPSAHREGFR
SCHEMBL4025098 0.73 MAPK1 (0.63) MAPK1HTR6DHPSAHRTRPV1
SCHEMBL29901215 0.73 MAPK1 (0.63) MAPK1HTR6DHPSAHRTRPV1
SCHEMBL257380 0.71 MAPK1 (0.71) MAPK1HTR6DHPSAHRTRPV1
SCHEMBL30955295 0.71 HTR6 (0.60) MAPK1HTR6DHPSAHRCCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275433-B1 METASTIN DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2017-06-07 EP disclosed
CN-103917524-B Bicyclic heterocycles ASTELLAS PHARMA INC. (JP) 2016-05-04 CN disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
US-8592379-B2 Metastin derivative and use thereof KYOTO UNIVERSITY (JP) 2013-11-26 US disclosed
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 US disclosed
US-20120015868-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-19 US disclosed
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-22 US disclosed
EP-2379053-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2011-10-26 EP disclosed
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-10 US disclosed
US-7625869-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
EP-2113513-A2 Metastin derivatives and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-11-04 EP disclosed
US-20090215700-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-27 US disclosed
EP-2081955-A1 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-29 EP disclosed
US-20080312155-A1 Metastin Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
WO-2008050897-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
EP-1758932-A2 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-20060241051-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 US disclosed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 WO disclosed
EP-1577323-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-09-21 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 (6 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-20120015868-A1 Metastin derivatives and use thereof MET, HGFAC, HGF MAPK1 2775/4885HTR6 3904/4885DHPS 4292/4885
US-20090215700-A1 Metastin derivatives and use thereof SHBG, GNRHR, INHA MAPK1 3059/4885HTR6 3976/4885DHPS 4460/4885
US-20080312155-A1 Metastin Derivatives and Use Thereof GNRHR, SHBG, MEN1 MAPK1 2420/4885HTR6 3884/4885DHPS 4317/4885
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER KLK3, SHBG, SERPINA3 MAPK1 2623/4885HTR6 3853/4885DHPS 2243/4885
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA MAPK1 3059/4885HTR6 3976/4885DHPS 4460/4885
US-20060241051-A1 Metastin derivatives and use thereof MET, HGFAC, HGF MAPK1 2775/4885HTR6 3904/4885DHPS 4292/4885

“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.