SCHEMBL3645454

SCHEMBL3645454

CN=C(N)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 2/20 0.52
GRIN1 Q05586 2/20 0.50
GRIN2B Q13224 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47
BLM P54132 2/20 0.46
RECQL P46063 2/20 0.46
CYP2C19 P33261 2/20 0.46
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
F12 P00748 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PKM P14618 1/20 0.46
CYP3A4 P08684 1/20 0.46
PARP1 P09874 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
SCHEMBL14031335 1.00 KMT2A (0.56) KMT2AMEN1POLBGRIN1GRIN2B
Hydrochloric Acid SCHEMBL10888722 0.97 KMT2A (0.54) KMT2AMEN1POLBGRIN1GRIN2B
SCHEMBL14339598 0.86 GRIN2B (0.56) KMT2AMEN1POLBGRIN2BCYP2D6
SCHEMBL18938347 0.78 KMT2A (0.61) KMT2AMEN1POLBGRIN1GRIN2B
SCHEMBL14393378 0.77 KDM1A (0.50) KMT2AMEN1NPSR1CYP2D6HIF1A
SCHEMBL15653057 0.77 MASP2 (0.48) KMT2AMEN1POLBCYP2D6HIF1A
SCHEMBL25914317 0.77 CYP2D6 (0.55) KMT2AMEN1POLBCYP2D6HIF1A
Benzamidoxime SCHEMBL30242 0.76 KMT2A (0.58) KMT2AMEN1POLBGRIN1GRIN2B
SCHEMBL22872296 0.76 KMT2A (0.58) KMT2AMEN1POLBGRIN1GRIN2B
SCHEMBL11323612 0.76 KMT2A (0.65) KMT2AMEN1POLBGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12595251-B2 Amidines and amidine analogs for the treatment of bacterial infections and potentiation antibiotics GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2026-04-07 US disclosed
CN-110272395-A A kind of method of the asymmetric polysubstituted amino -1,3,5- compound in triazine class of photocatalysis preparation 赣南师范大学 2019-09-24 CN disclosed
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2018-10-30 US disclosed
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-02-22 US disclosed
US-9688672-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2017-06-27 US disclosed
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2016-11-03 US disclosed
US-9434719-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2016-09-06 US disclosed
EP-2970240-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH Novartis AG (CH) 2016-01-20 EP disclosed
EP-2906553-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2015-08-19 EP disclosed
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2015-06-04 US disclosed
WO-2008152149-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2008-12-18 WO disclosed
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
EP-0025321-B1 COMPOSITION CONTAINING S-SULFONATED IMMUNOGLOBULIN AND AGGREGATION PREVENTING OR AGGREGATE DISSOCIATING AGENT THEREFOR, AND PROCESSES FOR PREPARING COMPOSITIONS CONTAINING HIGH PROPORTIONS OF MONOMERIC S-SULFONATED IMMUNOGLOBULIN TEIJIN LIMITED (JP) 1984-03-21 EP disclosed
EP-0001965-B1 PROCESS FOR THE PREPARATION OF FOAMED MATERIALS BAYER AG (DE) 1982-12-15 EP disclosed
US-4362661-A BASIC AMINO ACID SALT TO PREVENT AGGREGATION TEIJIN LIMITED (JP) 1982-12-07 US disclosed
US-4360457-A AMINO ACID SALT TEIJIN LIMITED (JP) 1982-11-23 US disclosed
EP-0025321-A2 Composition containing S-sulfonated immunoglobulin and aggregation preventing or aggregate dissociating agent therefor, and processes for preparing compositions containing high proportions of monomeric S-sulfonated immunoglobulin TEIJIN LIMITED (JP) 1981-03-18 EP disclosed
EP-0025275-A2 Immunoglobulin-containing composition containing an aggregation preventing or aggregate dissociating agent for the immunoglobulin, and process for preparation thereof TEIJIN LIMITED (JP) 1981-03-18 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 (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-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A KMT2A 78/4885MEN1 2398/4885POLB 572/4885
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A KMT2A 78/4885MEN1 2398/4885POLB 572/4885
US-12595251-B2 Amidines and amidine analogs for the treatment of bacterial infections and potentiation antibiotics CLIC1, CBR3, CBR1 KMT2A 4651/4885MEN1 3674/4885POLB 3463/4885
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A KMT2A 78/4885MEN1 2398/4885POLB 572/4885
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH IDH1, IDH3B, IDH3A KMT2A 78/4885MEN1 2398/4885POLB 572/4885
US-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S KMT2A 4045/4885MEN1 1470/4885POLB 1555/4885

“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.