SCHEMBL509972

SCHEMBL509972

O=c1[nH]c(-c2cccc3ccccc23)cc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
GAA P10253 2/20 0.57
ALPL P05186 1/20 0.57
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.50
GSK3B P49841 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
TNKS O95271 1/20 0.49
TYMP P19971 1/20 0.47
PIM1 P11309 1/20 0.47
PDE10A Q9Y233 1/20 0.47
CDC25B P30305 3/20 0.47
APAF1 O14727 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL824689 0.86 KDM4E (0.48) KDM4EGAAALPLALDH1A1HPGD
SCHEMBL10390270 0.86 SAE1 (0.48) KDM4EGAAALPLALDH1A1HPGD
SCHEMBL29817803 0.83 KDM4E (0.51) KDM4EGAAALDH1A1HPGDNPC1
SCHEMBL13455283 0.83 LOXL2 (0.51) KDM4EGAAALDH1A1HPGDNPC1
SCHEMBL13316854 0.83 KDM4E (0.59) KDM4EGAAALDH1A1HPGDNPC1
SCHEMBL27031075 0.83 KDM4E (0.51) KDM4EGAAALDH1A1HPGDNPC1
SCHEMBL10389426 0.83 TNKS (0.45) KDM4EGAAALPLALDH1A1HPGD
Hydrochloric Acid SCHEMBL10389073 0.82 TNKS (0.44) KDM4EGAAALPLALDH1A1HPGD
SCHEMBL6382021 0.81 CDC25B (0.50) KDM4EGAAALDH1A1HPGDNPC1
SCHEMBL4763653 0.79 KDM4E (0.63) KDM4EGAAALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4942163-A LEUKEMIA E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-07-17 US claimed
US-8420668-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-04-16 US disclosed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-8314123-B2 5, 6, or 7-substituted -3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
EP-2099765-B1 5, 6, OR 7-SUBSTITUTED-3-ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS REXAHN PHARMACEUTICALS INC (US) 2012-08-29 EP disclosed
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
EP-2423196-A1 5, 6 or 7-substituted-3-phenylisoquinolinamine derivatives and therapeutic use thereof Rexahn Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
US-20120029012-A1 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF REXAHN PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-20110282062-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-17 US disclosed
CN-101160303-B 1- (2H) -isoquinolone derivatives CHUGAI PHARMACEUTICAL CO LTD 2011-09-28 CN disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
US-20080182871-A1 5, 6, or 7-Substituted - 3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
CN-101160303-A 1- (2H) -isoquinolone derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-04-09 CN disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed
US-4942163-A LEUKEMIA E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-07-17 US disclosed
US-4942163-A LEUKEMIA E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-07-17 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 (5 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-20080182871-A1 5, 6, or 7-Substituted - 3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof FANCD2, NRAS, CCND2 KDM4E 2109/4885GAA 1791/4885ALPL 4394/4885
US-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 KDM4E 2949/4885GAA 4558/4885ALPL 4662/4885
US-20120029012-A1 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF FANCD2, NRAS, CCND2 KDM4E 2109/4885GAA 1791/4885ALPL 4394/4885
US-20110282062-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CYP11B2, CYP11B1, ABCB11 KDM4E 3113/4885GAA 1705/4885ALPL 1993/4885
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 KDM4E 3057/4885GAA 2468/4885ALPL 2125/4885

“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.