SCHEMBL2801515

SCHEMBL2801515

c1ccc(-c2cccc3nccnc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.53
ALDH1A1 P00352 5/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
MET P08581 1/20 0.44
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
TNF P01375 1/20 0.39
PIK3CA P42336 1/20 0.38
HSD17B10 Q99714 2/20 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
SCHEMBL22422764 0.88 TOP1 (0.44) TOP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL17345167 0.85 MAPT (0.50) TOP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3069598 0.84 KDM4E (0.58) TOP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL15511527 0.82 MAPT (0.48) TOP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL12970325 0.82 MEN1 (0.44) TOP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL28264575 0.82 MAPT (0.44) TOP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL25985447 0.82 TOP1 (0.42) TOP1ALDH1A1MAPTKDM4EPOLB
SCHEMBL15977497 0.81 PIK3CA (0.45) TOP1PIK3CA
SCHEMBL62154 0.81 TOP1 (0.41) TOP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL13078942 0.80 TOP1 (0.47) TOP1ALDH1A1MAPTKDM4ECDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107353301-A A kind of boron azepine aromatic compound and its synthetic method and application 天津理工大学 2017-11-17 CN claimed
CN-107353301-B Boron-nitrogen-mixed aromatic compound and synthesis method and application thereof 天津理工大学 2020-04-14 CN disclosed
EP-2197979-B1 NOVEL COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL IND INC (KR) 2016-12-07 EP disclosed
US-9379336-B2 Compounds for use in light emitting devices NITTO DENKO CORPORATION (JP) 2016-06-28 US disclosed
US-9379336-B2 Compounds for use in light emitting devices NITTO DENKO CORPORATION (JP) 2016-06-28 US disclosed
CN-103788016-B Containing can the organic molecule film and preparation method thereof of protonated nitrogen-atoms SHANGHAI JIAO TONG UNIVERSITY (CN) 2016-03-09 CN disclosed
CN-103788016-A Organic micromolecule film containing protonating nitrogen atom and preparation method thereof UNIV SHANGHAI JIAOTONG 2014-05-14 CN disclosed
US-20140061614-A1 COMPOUNDS FOR USE IN LIGHT EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2014-03-06 US disclosed
US-20140061614-A1 COMPOUNDS FOR USE IN LIGHT EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2014-03-06 US disclosed
US-8383932-B2 Compound for organic photoelectric device and organic photoelectric device including the same CHEIL INDUSTRIES, INC. (KR) 2013-02-26 US disclosed
US-8383932-B2 Compound for organic photoelectric device and organic photoelectric device including the same CHEIL INDUSTRIES, INC. (KR) 2013-02-26 US disclosed
US-20100209537-A1 Metal complexes with anticancer activity BANGALORE RAMESH 2010-08-19 US disclosed
US-20100200054-A1 Compound for organic photoelectric device and organic photoelectric device including the same CHEIL INDUSTRIES, INC. (KR) 2010-08-12 US disclosed
US-20100200054-A1 Compound for organic photoelectric device and organic photoelectric device including the same CHEIL INDUSTRIES, INC. (KR) 2010-08-12 US disclosed
WO-2009051454-A2 NOVEL COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL INDUSTRIES INC. (KR) 2009-04-23 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-20100200054-A1 Compound for organic photoelectric device and organic photoelectric device including the same PPOX, PIEZO1, AOX1 TOP1 1153/4885ALDH1A1 151/4885MAPT 2747/4885

“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.