SCHEMBL3112205

SCHEMBL3112205

NC(=O)c1ccnc(N2CCOCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
POLB P06746 2/20 0.58
LMNA P02545 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
KDM4E B2RXH2 1/20 0.55
PIK3CA P42336 3/20 0.52
PIK3CB P42338 2/20 0.52
PIK3CD O00329 1/20 0.52
PIK3R1 P27986 1/20 0.52
ACHE P22303 2/20 0.46
CHRNA7 P36544 1/20 0.45
PTPN11 Q06124 1/20 0.45
MGLL Q99685 1/20 0.45
EIF2AK2 P19525 1/20 0.44
JAK2 O60674 1/20 0.44
MAPK1 P28482 1/20 0.43
ATR Q13535 1/20 0.43
MAPT P10636 1/20 0.43
ACACB O00763 1/20 0.42

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
SCHEMBL31706055 0.88 POLB (0.54) HTTPOLBLMNAHSD17B10GPR55
SCHEMBL3116636 0.88 POLB (0.54) HTTPOLBLMNAHSD17B10GPR55
SCHEMBL25877128 0.86 PIK3CA (0.48) HTTPOLBLMNAHSD17B10GPR55
Lithium Ion SCHEMBL31705478 0.85 PIK3CA (0.47) HTTPOLBLMNAHSD17B10GPR55
SCHEMBL9461754 0.84 ALDH1A1 (0.56) HTTPOLBHSD17B10KDM4EACHE
SCHEMBL20745726 0.82 CRBN (0.53) KDM4EPIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL25877125 0.82 PIK3CA (0.45) HTTPOLBLMNAHSD17B10GPR55
SCHEMBL6883503 0.82 MAPT (0.58) HTTPOLBLMNAHSD17B10GPR55
SCHEMBL9461858 0.81 PTPN11 (0.50) HTTPOLBLMNAHSD17B10GPR55
SCHEMBL9461801 0.81 PARP1 (0.43) HTTPOLBLMNAHSD17B10GPR55

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195780-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 CN disclosed
CN-114195806-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 CN disclosed
CN-105658639-A Alkynyl alcohols and methods of use 豪夫迈·罗氏有限公司 2016-06-08 CN disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 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 (5 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 HTT 4591/4885POLB 2974/4885LMNA 4848/4885
US-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG HTT 2733/4885POLB 3816/4885LMNA 4101/4885
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ARAF, BRAF, RAF1 HTT 4742/4885POLB 3288/4885LMNA 4138/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 HTT 4365/4885POLB 1195/4885LMNA 3632/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG HTT 2733/4885POLB 3816/4885LMNA 4101/4885

“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.