SCHEMBL544723

SCHEMBL544723

Cc1[nH]nc(N)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 1.00
KMT2A Q03164 1/20 1.00
IKBKB O14920 7/20 0.68
MAP3K14 Q99558 1/20 0.68
CHUK O15111 1/20 0.68
CHEK1 O14757 1/20 0.66
IKBKE Q14164 2/20 0.65
MAPK1 P28482 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RPS6KA3 P51812 1/20 0.53
ILK Q13418 1/20 0.51
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL9170886 0.85 AKT2 (0.73) AKT2KMT2AIKBKBMAP3K14CHUK
SCHEMBL2322659 0.80 AKT2 (0.67) AKT2KMT2AIKBKBMAP3K14CHUK
SCHEMBL13312276 0.79 IKBKB (0.67) AKT2KMT2AIKBKBMAP3K14CHUK
SCHEMBL10166769 0.79 MAPK1 (0.68) AKT2KMT2ACHEK1MAPK1NPSR1
SCHEMBL873114 0.79 AKT2 (1.00) AKT2KMT2AIKBKBMAP3K14CHUK
SCHEMBL9170900 0.78 AKT2 (0.62) AKT2KMT2AIKBKBMAP3K14CHUK
SCHEMBL20723123 0.78 AKT2 (0.63) AKT2KMT2AIKBKBMAP3K14CHUK
SCHEMBL5820038 0.78 MAPK1 (1.00) AKT2KMT2AMAPK1NPSR1L3MBTL1
SCHEMBL11192094 0.78 AKT2 (0.68) AKT2KMT2ACHEK1MAPK1NPSR1
SCHEMBL6132022 0.77 MAPK1 (0.80) AKT2KMT2AIKBKBMAP3K14CHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021119343-A1 COMPOSITIONS AND METHODS FOR SUBSTITUTED 7-(PIPERAZIN-1-YL)PYRAZOLO[1,5-A]PYRIMIDINE ANALOGS AS INHIBITORS OF KRAS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-17 WO disclosed
EP-3664806-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2020-06-17 EP disclosed
EP-3110818-B1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-10-23 EP disclosed
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-09 US disclosed
WO-2019032720-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-02-14 WO disclosed
WO-2019032720-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-02-14 WO disclosed
CN-107074861-A 9H pyrimido [4,5-B ] indoles and related analogs as BET bromodomain inhibitors 密执安大学评议会 2017-08-18 CN disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 US disclosed
US-9580430-B2 9H-pyrimido[4,5-B]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-02-28 US disclosed
EP-3110818-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS The Regents of The University of Michigan (US) 2017-01-04 EP disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
CN-101035802-A Inhibitors of IAP GENENTECH INC (US) 2007-09-12 CN disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 US disclosed
US-4001203-A Heavy metal complexes of azo dyestuffs containing a heterocyclic diazo component and the residue of 5-halogeno-2,3-dihydrozypyridine as coupling component CIBA-GEIGY AG (CH) 1977-01-04 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 (4 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-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 AKT2 3944/4885KMT2A 225/4885IKBKB 515/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 AKT2 2270/4885KMT2A 3374/4885IKBKB 304/4885
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD1 AKT2 3944/4885KMT2A 225/4885IKBKB 515/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP AKT2 3018/4885KMT2A 2131/4885IKBKB 256/4885

“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.