SCHEMBL2076240

SCHEMBL2076240

[CH2]N(CCOC)CCOC

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
CTH P32929 1/20 0.30

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
SCHEMBL9025467 0.89 PIK3CD (0.34) PIK3CD
SCHEMBL2077398 0.85
SCHEMBL9387059 0.81 ALDH1A1 (0.32) PIK3CD
SCHEMBL272355 0.78
SCHEMBL1292539 0.72 PIK3CD (0.43) PIK3CDCTH
SCHEMBL2075859 0.71
SCHEMBL11793063 0.69 PIK3CD (0.42) PIK3CDCTH
SCHEMBL15745725 0.69 PIK3CD (0.42) PIK3CDCTH
SCHEMBL174185 0.69
SCHEMBL259497 0.69 PIK3CD (0.62) PIK3CDCTH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012048411-A1 PLK-4 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2012-04-19 WO claimed
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US claimed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US claimed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US claimed
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 WO claimed
US-9724333-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2017-08-08 US disclosed
US-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE GREEN TECH CO., LTD. (JP) 2016-08-11 US disclosed
US-9321752-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-04-26 US disclosed
US-20150252029-A1 Novel Pyrazole Derivative GREEN TECH CO., LTD. (JP) 2015-09-10 US disclosed
EP-2907805-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2015-08-19 EP disclosed
WO-2012048411-A1 PLK-4 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2012-04-19 WO disclosed
US-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
WO-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed
EP-0501693-B1 Isoquinoline derivatives BANYU PHARMA CO LTD (JP) 1996-08-28 EP disclosed
US-5362736-A Alkoxy derivatives for cardiovascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-11-08 US disclosed
WO-1994007869-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1994-04-14 WO disclosed
EP-0501693-A1 Isoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-09-02 EP disclosed
US-4065560-A Tetrahydro-2-(nitromethylene)-2H-1,3-thiazine insect control agents SHELL OIL COMPANY (US) 1977-12-27 US disclosed
US-3993648-A Tetrahydro-2-(nitromethylene)-2H-1,3-thiazines SHELL OIL COMPANY (US) 1976-11-23 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 (3 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-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, PSEN1, MAPT PIK3CD 2746/4885CTH 3629/4885
US-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 PIK3CD 4035/4885CTH 3030/4885
US-20150252029-A1 Novel Pyrazole Derivative PSEN2, PSEN1, MAPT PIK3CD 2746/4885CTH 3629/4885

“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.