SCHEMBL4136229

SCHEMBL4136229

Cc1cncc(-c2ccco2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNB3 Q05901 1/20 0.44
FLT3 P36888 1/20 0.43
CYP2A6 P11509 3/20 0.43
PDE10A Q9Y233 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 5/20 0.41
HPGD P15428 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 2/20 0.41
BRCA1 P38398 2/20 0.41
RECQL P46063 2/20 0.41

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
SCHEMBL27773463 0.79 CHRNB1 (0.51) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL15871996 0.78 TAAR1 (0.54) FLT3PDE10AALDH1A1KDM4EHSD17B10
SCHEMBL7060329 0.78 MAPT (0.45) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL4136225 0.78 ALDH1A1 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL14908895 0.78 PIK3R1 (0.46) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL12459123 0.77 CHRNB1 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL16330614 0.77 PRMT6 (0.46) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL17773147 0.77 TAAR1 (0.42) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL17742688 0.75 MKNK1 (0.51) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL11064449 0.75 PRMT6 (0.54) FLT3SIRT1ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-20160145251-A1 INHIBITORS OF MYOCARDIN-RELATED TRANSCRIPTION FACTOR AND SERUM RESPONSE FACTOR (MRTF/SRF)-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2016-05-26 US disclosed
WO-2016073847-A2 INHIBITORS OF MYOCARDIN-RELATED TRANSCRIPTION FACTOR AND SERUM RESPONSE FACTOR (MRTF/SRF)-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-05-12 WO disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
WO-2014043272-A1 TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS TRIUS THERAPEUTICS INC. (US) 2014-03-20 WO disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 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 (7 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-20160145251-A1 INHIBITORS OF MYOCARDIN-RELATED TRANSCRIPTION FACTOR AND SERUM RESPONSE FACTOR (MRTF/SRF)-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME SREBF1, SREBF2, BPTF CHRNB1 3181/4885CHRNB2 3661/4885CHRNB4 4028/4885
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES GSK3B, GSK3A, GSKIP CHRNB1 1093/4885CHRNB2 600/4885CHRNB4 587/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B CHRNB1 4189/4885CHRNB2 4610/4885CHRNB4 4667/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B CHRNB1 4320/4885CHRNB2 4657/4885CHRNB4 4690/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B CHRNB1 4320/4885CHRNB2 4657/4885CHRNB4 4690/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 CHRNB1 2982/4885CHRNB2 3299/4885CHRNB4 2504/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 CHRNB1 3197/4885CHRNB2 3489/4885CHRNB4 2644/4885

“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.