SCHEMBL5849792

SCHEMBL5849792

CC(C)NCC1CCCN1c1nc(-c2ccncc2)c(-c2ccc(Cl)cc2)c(=O)n1C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.43
MAPK11 Q15759 12/20 0.38
MAPK14 Q16539 12/20 0.38
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
AKT1 P31749 3/20 0.35

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
SCHEMBL5849788 1.00 KDM1A (0.43) KDM1AMAPK11MAPK14MAPK13MAPK12
SCHEMBL5847722 0.87 MAPK14 (0.48) KDM1AMAPK11MAPK14MAPK13MAPK12
SCHEMBL5849829 0.85 MAPK9 (0.47) KDM1AMAPK11MAPK14MAPK13MAPK12
SCHEMBL5847516 0.84 KDM1A (0.42) KDM1AMAPK14MAPK13MAPK12
SCHEMBL5848204 0.84 KDM1A (0.42) KDM1AMAPK14MAPK13MAPK12
SCHEMBL5849199 0.83 KDM1A (0.41) KDM1AMAPK14MAPK13MAPK12
SCHEMBL5848909 0.82 MAPK11 (0.36) MAPK11MAPK14MAPK13MAPK12AKT1
SCHEMBL5849781 0.81 KDM1A (0.45) KDM1AMAPK11MAPK14MAPK13MAPK12
SCHEMBL5847417 0.75 MAPK14 (0.40) KDM1AMAPK11MAPK14MAPK13MAPK12
SCHEMBL27413911 0.74 KDM1A (0.52) KDM1AMAPK11MAPK14MAPK13MAPK12

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
US-7026326-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-04-11 US claimed
US-20050038010-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-02-17 US claimed
EP-1506186-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2005-02-16 EP claimed
WO-2003099808-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2003-12-04 WO claimed
US-7026326-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-04-11 US disclosed
US-20050038010-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-02-17 US disclosed
EP-1506186-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2005-02-16 EP disclosed
WO-2003099808-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2003-12-04 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 (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-20050038010-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 KDM1A 3459/4885MAPK11 1540/4885MAPK14 2458/4885

“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.