SCHEMBL2994968

SCHEMBL2994968

NC(=O)c1ccccc1Nc1nccc(-c2ccccn2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.62
MAPK8 P45983 7/20 0.58
CHEK1 O14757 1/20 0.52
PAK4 O96013 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CDK2 P24941 1/20 0.52
MAPK1 P28482 1/20 0.52
AKT1 P31749 1/20 0.52
PLK1 P53350 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
MAP2K1 Q02750 1/20 0.52
CAMKK2 Q96RR4 2/20 0.49
PIK3CG P48736 1/20 0.47
MAPK10 P53779 3/20 0.47
TAS2R14 Q9NYV8 1/20 0.47
SYK P43405 3/20 0.47
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
TYK2 P29597 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
SCHEMBL317825 0.83 AURKA (0.65) AURKAMAPK8CHEK1PAK4CSNK2A2
SCHEMBL23510224 0.81 ABL1 (0.62) AURKAMAPK8MAPK10ABL1BCR
Hydrochloric Acid SCHEMBL28133159 0.80 ABL1 (0.61) AURKAMAPK8MAPK10ABL1BCR
Pyridine SCHEMBL1454611 0.79 AURKA (0.61) AURKAMAPK8CHEK1PAK4CSNK2A2
SCHEMBL4903032 0.79 MAPK8 (0.74) AURKAMAPK8CDK2CAMKK2PIK3CG
SCHEMBL10960560 0.79 KDM4E (0.48) MAPK8MAPK1MAPK10SYKABL1
SCHEMBL4901365 0.78 CAMKK2 (0.67) MAPK8CAMKK2PIK3CGMAPK10SYK
SCHEMBL4903688 0.77 MAPK8 (0.63) AURKAMAPK8CAMKK2PIK3CGMAPK10
SCHEMBL7465982 0.75 FLT3 (0.50) MAPK1SYKABL1BCRPRKCA
SCHEMBL4520734 0.74 CDK2 (0.68) AURKAMAPK8CSNK2A2CDK2CCNT1

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
EP-3600440-A1 REDUCED EXPOSURE CONJUGATES MODULATING THERAPEUTIC TARGETS Sienna Biopharmaceuticals, Inc. (US) 2020-02-05 EP disclosed
WO-2020023389-A1 REDUCED EXPOSURE COMPOSITIONS MODULATING THERAPEUTIC TARGETS SIENNA BIOPHARMACEUTICALS, INC. (US) 2020-01-30 WO disclosed
WO-2018175340-A1 REDUCED EXPOSURE CONJUGATES MODULATING THERAPEUTIC TARGETS SIENNA BIOPHARMACEUTICALS, INC. (US) 2018-09-27 WO disclosed
WO-2018175301-A1 POLYMER CONJUGATE OF MONTESANIB WITH REDUCED EXPOSURE SIENNA BIOPHARMACEUTICALS, INC. (US) 2018-09-27 WO disclosed
WO-2018175302-A1 POLYMER CONJUGATES TARGETING C-SRC WITH REDUCED EXPOSURE SIENNA BIOPHARMACEUTICALS, INC. (US) 2018-09-27 WO disclosed
EP-2166860-B1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA CELLULAR THERAPIES INC (US) 2016-09-21 EP disclosed
US-20160075683-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF LI PENG (US) 2016-03-17 US disclosed
US-20150259329-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA CELLULAR THERAPIES INC (US) 2015-09-17 US disclosed
US-9062023-B2 Heterocycle compounds and uses thereof INTRA-CELLULAR THERAPIES, INC. (US) 2015-06-23 US disclosed
US-9056837-B2 Heterocycle compounds and uses thereof INTRA-CELLULAR THERAPIES, INC. (US) 2015-06-16 US disclosed
US-20100184778-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES, INC. 2010-07-22 US disclosed
US-20100173924-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES INC. 2010-07-08 US disclosed
US-20100111876-A1 USE OF METAL NANOPARTICLES IN THE DIAGNOSIS OF ALZHEIMER'S DISEASE GUERBET (FR) 2010-05-06 US disclosed
EP-2166860-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF Intra-Cellular Therapies, Inc. (US) 2010-03-31 EP disclosed
EP-2166858-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF Intra-Cellular Therapies, Inc. (US) 2010-03-31 EP disclosed
US-7687512-B2 4-Methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide; for neurodegenerative diseases like Alzheimer's disease, Down's Syndrome, memory and cognitive impairment, dementia, amyloid neuropathies, brain inflammation, nerve and brain trauma NOVARTIS AG (CH) 2010-03-30 US disclosed
WO-2008153974-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES, INC. (US) 2008-12-18 WO disclosed
WO-2008153959-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES, INC. (US) 2008-12-18 WO disclosed
US-20070129389-A1 Use of pyridinyl-pyrimidinylamino-benzamide derivatives for the treatment of amyloid related disorders NOVARTIS AG (CH) 2007-06-07 US disclosed
WO-2005039586-A1 USE OF PYRIDINYL-PYRIMIDINYLAMINO-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF AMYLOID RELATED DISORDERS NOVARTIS AG (CH) 2005-05-06 WO 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 (6 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-20160075683-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF APP, BACE1, PYGB AURKA 83/4885MAPK8 498/4885CHEK1 97/4885
US-20150259329-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF PYGB, BACE1, APP AURKA 243/4885MAPK8 424/4885CHEK1 195/4885
US-20100173924-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF PYGB, BACE1, APP AURKA 165/4885MAPK8 372/4885CHEK1 157/4885
US-20100184778-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF APP, PYGB, BACE1 AURKA 78/4885MAPK8 500/4885CHEK1 90/4885
US-20100111876-A1 USE OF METAL NANOPARTICLES IN THE DIAGNOSIS OF ALZHEIMER'S DISEASE PSEN1, PSEN2, APP AURKA 2039/4885MAPK8 4661/4885CHEK1 4726/4885
US-20070129389-A1 Use of pyridinyl-pyrimidinylamino-benzamide derivatives for the treatment of amyloid related disorders TIE1, ABL2, FYN AURKA 847/4885MAPK8 220/4885CHEK1 171/4885

“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.