SCHEMBL996991

SCHEMBL996991

O=c1[nH]cnc2c1CN(Cc1ccccc1)CC2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CLPP Q16740 16/20 0.58
SLC6A5 Q9Y345 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL1550311 0.90 KDM4E (0.63) KDM4EALDH1A1GLAGAAMAPT
Hydrochloric Acid SCHEMBL3188334 0.88 KDM4E (0.61) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL2454865 0.88 MAPT (0.51) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL20214121 0.81 KDM4E (0.49) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL22214072 0.79 GRIA1 (0.39) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL14042325 0.79 KDM4E (0.37) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL4155645 0.79 CLPP (0.58) CLPPSLC6A5MEN1KMT2A
SCHEMBL22915965 0.78 ACHE (0.50) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL3435800 0.77 CLPP (0.68) CLPPMEN1KMT2A
SCHEMBL550151 0.76 SIGMAR1 (0.50) KDM4EALDH1A1GLAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630116-B1 TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2024-05-01 EP disclosed
US-10745420-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-08-18 US disclosed
US-10745420-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-08-18 US disclosed
US-10421765-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-24 US disclosed
US-10421765-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-24 US disclosed
US-20180370990-A1 TETRAHYDROPYRIDO[4,3-d]PYRIMIDINE INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2018-12-27 US disclosed
EP-2376478-B1 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-04-19 EP disclosed
EP-2136639-B1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2016-03-09 EP disclosed
EP-2136639-B1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2016-03-09 EP disclosed
EP-1885369-B1 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-09-23 EP disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 WO disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 WO disclosed
EP-1885369-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2008-02-13 EP disclosed
US-20060258689-A1 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans EVOTEC SE (DE) 2006-11-16 US disclosed
WO-2006119504-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
WO-2006119504-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
US-6414157-B1 COMPOUNDS HAVING HIGH AFFINITY FOR 5-HT1B AND 5-HT1C SEROTONIN RECEPTOR; ANTIDEPRESSANTS ABBOTT LABORATORIES 2002-07-02 US disclosed
EP-1025100-B1 3-SUBSTITUTED TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVES, METHOD FOR PRODUCING THE SAME, AND THEIR USE BASF AG (DE) 2002-01-23 EP disclosed
EP-1140099-A1 UTILISATION OF 2-SUBSTITUTED 1,2-BENZISOTHIAZOLE DERIVATIVES AND 3-SUBSTITUTED TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVES FOR THE PROPHYLAXIS AND THERAPY OF CEREBRAL ISCHAEMIA BASF AKTIENGESELLSCHAFT (DE) 2001-10-10 EP disclosed
WO-2000041697-A1 UTILISATION OF 2-SUBSTITUTED 1,2-BENZISOTHIAZOLE DERIVATIVES AND 3-SUBSTITUTED TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVES FOR THE PROPHYLAXIS AND THERAPY OF CEREBRAL ISCHAEMIA BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 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 (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-20180370990-A1 TETRAHYDROPYRIDO[4,3-d]PYRIMIDINE INHIBITORS OF ATR KINASE ATR, DTYMK, CHEK1 KDM4E 1113/4885ALDH1A1 3090/4885GLA 4296/4885
US-20060258689-A1 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans BDNF, OPRL1, GRIN2D KDM4E 1876/4885ALDH1A1 1525/4885GLA 1144/4885
US-10421765-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase ATR, DTYMK, CHEK1 KDM4E 1113/4885ALDH1A1 3090/4885GLA 4296/4885
US-10745420-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase ATR, DTYMK, CHEK1 KDM4E 1113/4885ALDH1A1 3090/4885GLA 4296/4885

“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.