SCHEMBL138181

SCHEMBL138181

Nc1ccccc1N1CCOC1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
HTR6 P50406 1/20 0.43
ADRA2C P18825 1/20 0.42
GAA P10253 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 2/20 0.40
KDM4E B2RXH2 3/20 0.39
TNKS O95271 1/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
NOTUM Q6P988 1/20 0.37
PRKDC P78527 1/20 0.36
NAAA Q02083 6/20 0.36
FAAH O00519 3/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL29557633 1.00 KEAP1 (0.44) KEAP1HTR6ADRA2CGAAKMT2A
SCHEMBL4543332 0.80 DDB1 (0.50) KMT2AMEN1L3MBTL1
SCHEMBL8502875 0.80 MGLL (0.43) HTR6KMT2AMEN1KDM4ETNKS
SCHEMBL2750210 0.80 MEN1 (0.56) HTR6KMT2AMEN1KDM4EL3MBTL1
SCHEMBL3361698 0.80 MGLL (0.43) KMT2AKDM4ETNKSNOTUMNAAA
SCHEMBL14899249 0.80 GAA (0.42) GAAKMT2AMEN1KDM4ETNKS
SCHEMBL8403944 0.80 KDM4E (0.37) HTR6KMT2AKDM4ETNKSNOTUM
SCHEMBL4041469 0.80 NCF1 (0.41) HTR6KMT2AKDM4ETNKSNOTUM
SCHEMBL19127710 0.79 KMT2A (0.40) KMT2AMEN1KDM4ETNKSNOTUM
SCHEMBL7814732 0.79 KEAP1 (0.46) KEAP1GAAKMT2APRKDCNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
CN-114315796-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-04-12 CN disclosed
US-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US disclosed
EP-2406254-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-01-18 EP disclosed
WO-2010104193-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-16 WO disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed
EP-1749011-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-29 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 (1 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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF HRH4, HNMT, CYP3A4 KEAP1 3350/4885HTR6 63/4885ADRA2C 24/4885

“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.