SCHEMBL12015772

SCHEMBL12015772

CC(C)c1ccnc(NCCCN2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.53
GSK3B P49841 1/20 0.53
MKNK1 Q9BUB5 6/20 0.52
RAC1 P63000 1/20 0.49
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
RAD52 P43351 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TYRO3 Q06418 1/20 0.47
MERTK Q12866 1/20 0.47
GAS6 Q14393 1/20 0.47
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
FGFR2 P21802 1/20 0.45

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
SCHEMBL12015771 0.88 HRH4 (0.53) CDK4GSK3BMKNK1FGFR1SRC
SCHEMBL445071 0.80 CDK4 (0.55) CDK4GSK3BMKNK1RAC1KDM4E
SCHEMBL12015766 0.80 MAPT (0.46) GSK3BKDM4ENPC1LMNAGLA
SCHEMBL1090555 0.78 CXCR4 (0.61) CDK4GSK3BMKNK1RAC1KDM4E
SCHEMBL5102956 0.77 CDK4 (0.53) CDK4GSK3BMKNK1RAC1KDM4E
SCHEMBL13384588 0.76 HRH4 (0.52) NPC1TYRO3MERTKGAS6
SCHEMBL12015770 0.76 ABL1 (0.47) KDM4ENPC1LMNAGLAPOLB
SCHEMBL3648590 0.75 MKNK1 (0.61) CDK4GSK3BMKNK1RAC1KDM4E
SCHEMBL13484501 0.74 NUDT1 (0.45) KDM4ENPC1RAB9ATYRO3MERTK
SCHEMBL12015762 0.74 ABL1 (0.53) KDM4ELMNAFGFR1SRCCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 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 (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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS CDK4 139/4885GSK3B 2586/4885MKNK1 2968/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS CDK4 139/4885GSK3B 2586/4885MKNK1 2968/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS CDK4 139/4885GSK3B 2586/4885MKNK1 2968/4885

“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.