SCHEMBL7353689

SCHEMBL7353689

Cc1cc(OCCN(C)C)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
LTA4H P09960 2/20 0.49
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL13091429 0.92 KDM4E (0.54) KEAP1NFE2L2HRH3KDM4EALDH1A1
SCHEMBL310630 0.86 KEAP1 (0.53) KEAP1NFE2L2CHRNB2CHRNA4HRH3
SCHEMBL30343866 0.86 KEAP1 (0.53) KEAP1NFE2L2CHRNB2CHRNA4HRH3
SCHEMBL110214 0.86 KEAP1 (0.56) KEAP1NFE2L2CHRNB2CHRNA4HRH3
SCHEMBL10702555 0.85 ALDH1A1 (0.50) ALDH1A1TDP1MAPT
Hydrochloric Acid SCHEMBL3543706 0.85 KEAP1 (0.51) KEAP1NFE2L2CHRNB2CHRNA4HRH3
SCHEMBL13091437 0.84 HRH3 (0.55) KEAP1NFE2L2CHRNB2CHRNA4HRH3
SCHEMBL10702177 0.83 PDIA6 (0.56) ALDH1A1TDP1MAPT
SCHEMBL10870432 0.83 PDIA6 (0.51) KDM4EALDH1A1TDP1MAPT
SCHEMBL10870020 0.82 PDIA6 (0.54) ALDH1A1TDP1MAPTTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 US disclosed
CN-116669725-A Novel aminopyridine and use thereof in the treatment of cancer 奥克兰联合服务有限公司 2023-08-29 CN disclosed
EP-4217357-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER Auckland Uniservices Limited (NZ) 2023-08-02 EP disclosed
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US disclosed
WO-2022064430-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2022-03-31 WO disclosed
WO-2020140055-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
WO-2010122979-A1 THIAZOLIDINONE DERIVATIVE SBIバイオテック株式会社 (JP) 2010-10-28 WO disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
US-5932582-A Fibrinogen receptor antagonist prodrugs MERCK & CO., INC. (US) 1999-08-03 US disclosed
EP-0912513-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
WO-1998000401-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-01-08 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 (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-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E KEAP1 3879/4885NFE2L2 4262/4885CHRNB2 4638/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK KEAP1 1967/4885NFE2L2 1706/4885CHRNB2 4821/4885
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK KEAP1 1967/4885NFE2L2 1706/4885CHRNB2 4821/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK KEAP1 1967/4885NFE2L2 1706/4885CHRNB2 4821/4885
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP KEAP1 2312/4885NFE2L2 1749/4885CHRNB2 3774/4885

“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.