SCHEMBL12017490

SCHEMBL12017490

CNc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.41
LCK P06239 1/20 0.41
ALDH1A1 P00352 4/20 0.38
NTRK1 P04629 1/20 0.36
BRD4 O60885 1/20 0.36
MAPT P10636 2/20 0.35
PLK1 P53350 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ASH1L Q9NR48 1/20 0.32
PTGS2 P35354 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL13713676 0.83 KDM4E (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13713703 0.83 ALDH1A1 (0.36) BTKLCKALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL4640912 0.82 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL12479891 0.82 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL12761250 0.82 GP6 (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL12963539 0.80 CYP3A4 (0.37) BTKLCKALDH1A1BRD4MAPT
SCHEMBL6694019 0.80 MAPT (0.59) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL22167182 0.80 MGLL (0.54) ALDH1A1NTRK1MAPTMEN1KMT2A
SCHEMBL12933230 0.79 ALDH1A1 (0.33) BTKLCKALDH1A1MAPTKDM4E
SCHEMBL6279886 0.79 KIF11 (0.37) ALDH1A1MAPTMEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916762-A Compounds and methods for modulating 17 beta-hydroxysteroid dehydrogenase type 13 梅特雷亚生物科学股份有限公司 2023-04-04 CN disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2280309-B1 POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, PROTECTIVE FILM, INSULATING FILM, AND SEMICONDUCTOR DEVICE AND DISPLAY DEVICE EACH COMPRISING THE CURED FILM SUMITOMO BAKELITE CO (JP) 2016-02-24 EP disclosed
US-9005876-B2 Positive photosensitive resin composition for spray coating and method for producing through electrode using the same SUMITOMO BAKELITE CO., LTD. (JP) 2015-04-14 US disclosed
US-9005876-B2 Positive photosensitive resin composition for spray coating and method for producing through electrode using the same SUMITOMO BAKELITE CO., LTD. (JP) 2015-04-14 US disclosed
US-20140113448-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION FOR SPRAY COATING AND METHOD FOR PRODUCING THROUGH ELECTRODE USING THE SAME SUMITOMO BAKELITE CO., LTD. (JP) 2014-04-24 US disclosed
US-20140113448-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION FOR SPRAY COATING AND METHOD FOR PRODUCING THROUGH ELECTRODE USING THE SAME SUMITOMO BAKELITE CO., LTD. (JP) 2014-04-24 US disclosed
EP-2306244-B1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM AND USE OF THE CURED FILM SUMITOMO BAKELITE CO (JP) 2013-11-06 EP disclosed
US-20130280654-A1 POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, PROTECTIVE FILM, INSULATING FILM, AND SEMICONDUCTOR DEVICE AND DISPLAY DEVICE INCLUDING THE CURED FILM SUMITOMO BAKELITE CO (JP) 2013-10-24 US disclosed
US-20110118375-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, PROTECTING FILM, INSULATING FILM, AND SEMICONDUCTOR DEVICE AND DISPLAY DEVICE USING THE SAME SUMITOMO BAKELITE COMPANY, LTD. (JP) 2011-05-19 US disclosed
EP-2280309-A1 POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, PROTECTIVE FILM, INSULATING FILM, AND SEMICONDUCTOR DEVICE AND DISPLAY DEVICE EACH COMPRISING THE CURED FILM Sumitomo Bakelite Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO disclosed
US-20100076156-A1 PHOTOSENSITIVE RESIN COMPOSITION, INSULATING FILM, PROTECTIVE FILM, AND ELECTRONIC EQUIPMENT SUMITOMO BAKELITE CO., LTD. (JP) 2010-03-25 US disclosed
US-20100076156-A1 PHOTOSENSITIVE RESIN COMPOSITION, INSULATING FILM, PROTECTIVE FILM, AND ELECTRONIC EQUIPMENT SUMITOMO BAKELITE CO., LTD. (JP) 2010-03-25 US disclosed
EP-2083326-A1 PHOTOSENSITIVE RESIN COMPOSITION, INSULATING FILM, PROTECTIVE FILM, AND ELECTRONIC EQUIPMENT Sumitomo Bakelite Company, Ltd. (JP) 2009-07-29 EP disclosed
EP-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 EP disclosed
US-7312188-B2 Peptide derivatives having β-secretase inhibitory activity KISO YOSHIAKI 2007-12-25 US disclosed
US-20070004637-A1 Peptide derivatives having beta-secretase inhibitory activity KISO YOSHIAKI 2007-01-04 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 (3 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 BTK 939/4885LCK 3546/4885ALDH1A1 2980/4885
US-20070004637-A1 Peptide derivatives having beta-secretase inhibitory activity BACE1, BACE2, APP BTK 4366/4885LCK 4815/4885ALDH1A1 3152/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 BTK 928/4885LCK 3475/4885ALDH1A1 2975/4885

“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.