SCHEMBL321095

SCHEMBL321095

Nc1ccc(CCN2CCOCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.60
POLB P06746 1/20 0.54
L3MBTL3 Q96JM7 2/20 0.52
CD274 Q9NZQ7 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
MBTD1 Q05BQ5 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
GFER P55789 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 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
SCHEMBL4984757 0.88 SIGMAR1 (0.63) SIGMAR1POLBHRH3HTTKMT2A
SCHEMBL14320637 0.85 L3MBTL3 (0.64) SIGMAR1L3MBTL3HRH3MBTD1L3MBTL1
SCHEMBL5651768 0.82 SIGMAR1 (0.64) SIGMAR1L3MBTL3HRH3MBTD1L3MBTL1
SCHEMBL1877934 0.82 HRH3 (0.68) SIGMAR1L3MBTL3HRH3MBTD1L3MBTL1
SCHEMBL15137345 0.82 SIGMAR1 (0.57) SIGMAR1POLBL3MBTL3HRH3MBTD1
SCHEMBL23146342 0.81 SIGMAR1 (0.60) SIGMAR1POLBL3MBTL3HRH3MBTD1
SCHEMBL25042302 0.81 SIGMAR1 (0.65) SIGMAR1POLBL3MBTL3HRH3MBTD1
SCHEMBL24351544 0.81 SIGMAR1 (0.70) SIGMAR1POLBL3MBTL3CD274HRH3
SCHEMBL22711455 0.81 SIGMAR1 (0.60) SIGMAR1POLBL3MBTL3HRH3MBTD1
SCHEMBL24022514 0.81 SIGMAR1 (0.60) SIGMAR1POLBL3MBTL3HRH3MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427625-B2 Substituted thiatriazaacenaphthylene-6-carbonitrile kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-23 US claimed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US claimed
WO-2007092879-A2 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 WO claimed
CN-116120300-B Pyrimidine compound containing hydroxamic acid fragment, and preparation method and application thereof 贵州大学 2024-10-15 CN disclosed
US-11851436-B2 Fused bicyclic pyrimidine derivatives and uses thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-12-26 US disclosed
WO-2023237759-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR ANAGENESIS BIOTECHNOLOGIES (FR) 2023-12-14 WO disclosed
EP-4289427-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR. Anagenesis Biotechnologies (FR) 2023-12-13 EP disclosed
CN-114181199-B 2, 4-disubstituted pyrimidine derivative, preparation method and application thereof 成都赜灵生物医药科技有限公司 2023-09-26 CN disclosed
CN-116120300-A Pyrimidine compound containing hydroxamic acid fragment, and preparation method and application thereof 贵州大学 2023-05-16 CN disclosed
US-20230029430-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2023-01-26 US disclosed
CN-114181199-A 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof 成都赜灵生物医药科技有限公司 2022-03-15 CN disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
CN-1303374-A Substituted indolinones, process for their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2001-07-11 CN disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 WO disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 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 (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-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 SIGMAR1 4454/4885POLB 4243/4885L3MBTL3 2136/4885
US-11851436-B2 Fused bicyclic pyrimidine derivatives and uses thereof DPYD, TYMP, NUDT21 SIGMAR1 2316/4885POLB 631/4885L3MBTL3 3833/4885
US-20230029430-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DPYD, TYMP, NUDT21 SIGMAR1 2316/4885POLB 631/4885L3MBTL3 3833/4885

“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.