SCHEMBL2994970

SCHEMBL2994970

NC(=O)c1ccccc1N(c1ccccn1)c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ METAP2 P50579 1/20 0.36
▸ AHR P35869 1/20 0.35

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
SCHEMBL4566107 0.78 HSD17B10 (0.39) PARP1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL10836335 0.78 CYP2D6 (0.43) PARP1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL7093772 0.71 BCAT2 (0.47) PARP1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL2289138 0.69 CYP2D6 (0.50) HSD17B10KDM4EALDH1A1HTTNPSR1
SCHEMBL3726837 0.69 HTT (0.53) HSD17B10KDM4EALDH1A1HTTNPSR1
SCHEMBL8668737 0.67 TSHR (0.46) HSD17B10KDM4EALDH1A1HTTNPSR1
SCHEMBL27514150 0.67 GAA (0.53) PARP1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL8202219 0.67 CYP2D6 (0.48) HSD17B10KDM4EALDH1A1HTTNPSR1
SCHEMBL1276497 0.66 CYP2D6 (0.41) HSD17B10KDM4EALDH1A1HTTNPSR1
SCHEMBL147847 0.66 ALDH1A1 (0.69) HSD17B10KDM4EALDH1A1HPGDMAPT

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 PARP1 2190/4885HSD17B10 2062/4885KDM4E 2945/4885
US-20150259329-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF PYGB, BACE1, APP PARP1 3294/4885HSD17B10 1340/4885KDM4E 3588/4885
US-20100173924-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF PYGB, BACE1, APP PARP1 3211/4885HSD17B10 1420/4885KDM4E 3515/4885
US-20100184778-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF APP, PYGB, BACE1 PARP1 2435/4885HSD17B10 2081/4885KDM4E 3014/4885
US-20100111876-A1 USE OF METAL NANOPARTICLES IN THE DIAGNOSIS OF ALZHEIMER'S DISEASE PSEN1, PSEN2, APP PARP1 3700/4885HSD17B10 3344/4885KDM4E 4332/4885
US-20070129389-A1 Use of pyridinyl-pyrimidinylamino-benzamide derivatives for the treatment of amyloid related disorders TIE1, ABL2, FYN PARP1 529/4885HSD17B10 4548/4885KDM4E 2016/4885

“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.

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