SCHEMBL3170374

SCHEMBL3170374

Nc1ncc2ccccc2nc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NCF1 P14598 1/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
GPR3 P46089 1/20 0.41
EGFR P00533 1/20 0.41
PDPK1 O15530 1/20 0.41
IKBKB O14920 1/20 0.41
PLAUR Q03405 1/20 0.39
TLR8 Q9NR97 3/20 0.39
CYP1A2 P05177 3/20 0.39
GLA P06280 1/20 0.38
ACHE P22303 1/20 0.38
HTR3A P46098 2/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL3244662 0.76 KDM4E (0.41) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL11389060 0.76 KDM4E (0.41) ALDH1A1KDM4EMAPTHPGDNCF1
SCHEMBL41506 0.74 LCK (0.50) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL29509257 0.74 LCK (0.50) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL1651399 0.73 PDE10A (0.44) ALDH1A1KDM4EHPGDGAAHSD17B10
Hydrochloric Acid SCHEMBL29486326 0.72 LCK (0.49) ALDH1A1KDM4EMAPTHPGDGAA
Hydrochloric Acid SCHEMBL3468306 0.72 LCK (0.49) ALDH1A1KDM4EMAPTHPGDGAA
Hydrochloric Acid SCHEMBL28230152 0.72 LCK (0.49) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL6615577 0.72 KDM4E (0.46) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL7469665 0.72 KDM4E (0.44) ALDH1A1KDM4EMAPTHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423033-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-09 US claimed
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-06-05 US claimed
WO-2015027137-A1 IMPROVED SYNTHESIS OF CAPURAMYCIN AND ITS ANALOGUES UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2015-02-26 WO disclosed
EP-1641781-B1 Benzodiazepine CGRP receptor antagonists MERCK SHARP & DOHME (US) 2013-03-06 EP disclosed
EP-1856100-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-05-05 EP disclosed
US-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-18 US disclosed
EP-1641423-B1 BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-03-17 EP disclosed
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-04 US disclosed
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-25 US disclosed
US-7655647-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-02 US disclosed
US-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-01-14 US disclosed
EP-1289966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A$g(b) PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-03-12 EP disclosed
US-6503902-B2 Treatment of neurological disorders related to beta -amyloid production such as Alzheimer's disease and Down's Syndrome. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-07 US disclosed
US-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-02 US disclosed
US-20020025955-A1 Substituted lactams as inhibitors of A beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US disclosed
WO-2001077086-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF Aβ PROTEIN PRODUCTION DUPONT PHARMACEUTICALS COMPANY (US) 2001-10-18 WO disclosed
US-5798353-A Polysubstituted 3-acylamino-5-phenyl-1,4-benzodiazepin-2-one derivatives, process for their preparation and the pharmaceutical compositions containing them SANOFI (FR) 1998-08-25 US disclosed
US-5719143-A Polysubstituted 3-acylamino-5-phenyl-1, 4-benzodiazepin-2-one derivatives, process for their preparation and the pharmaceutical compositions containing them SANOFI (FR) 1998-02-17 US disclosed
EP-0667344-A1 3-acylamino-5-(polysubstituted phenyl)-1,4-benzodiazepin-2-ones useful as CCK-receptor agonists SANOFI (FR) 1995-08-16 EP disclosed
EP-0620221-A1 5-Acylamino-1,2,4-thiadiazoles as cholecystokinine antagonists or agonists ELF SANOFI (FR) 1994-10-19 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-20020025955-A1 Substituted lactams as inhibitors of A beta protein production BACE1, APP, APH1A ALDH1A1 3160/4885KDM4E 4310/4885MAPT 30/4885
US-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A ALDH1A1 3896/4885KDM4E 4239/4885MAPT 20/4885
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A ALDH1A1 3896/4885KDM4E 4239/4885MAPT 20/4885
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A ALDH1A1 2275/4885KDM4E 3505/4885MAPT 19/4885
US-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production APP, APH1A, BACE1 ALDH1A1 2084/4885KDM4E 3672/4885MAPT 39/4885
US-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BACE1, APP, BACE2 ALDH1A1 3509/4885KDM4E 4231/4885MAPT 14/4885
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A ALDH1A1 3896/4885KDM4E 4239/4885MAPT 20/4885

“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.