SCHEMBL4257980

SCHEMBL4257980

CN1CCN(CCCNc2ncc(C(=O)O)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
LCK P06239 2/20 0.40
FGFR1 P11362 4/20 0.39
KDR P35968 3/20 0.39
SHMT2 P34897 1/20 0.39
KMT2A Q03164 1/20 0.39
ABL1 P00519 1/20 0.39
NMT1 P30419 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
AHR P35869 1/20 0.38
STAT3 P40763 1/20 0.38

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
SCHEMBL4256180 0.86 KDM4E (0.50) LCKKMT2AMAPTKDM4EALDH1A1
SCHEMBL4251547 0.79 FYN (0.51) LCKKMT2AKDM4ELMNAHTT
SCHEMBL31052593 0.78 LCK (0.51) LCKFGFR1KDRABL1HTT
SCHEMBL29757221 0.76 MKNK1 (0.43) KMT2AMAPT
SCHEMBL16982150 0.75 SNCA (0.52) FPR3FPR2KMT2AKDM4EALDH1A1
SCHEMBL4253264 0.74 QPCT (0.50) KDM4EALDH1A1LMNAPOLBHTT
SCHEMBL4252915 0.73 HCAR2 (0.46) LCKABL1KDM4EALDH1A1HPGD
SCHEMBL21552094 0.73 TMPRSS15 (0.58) LCKKDM4EALDH1A1HPGD
SCHEMBL4249606 0.73 HCAR2 (0.41) FPR3FPR2LCKKMT2AKDM4E
SCHEMBL16113553 0.72 HCAR2 (0.52) LCKMAPTKDM4EALDH1A1HPGD

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-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US claimed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP claimed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 WO claimed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US disclosed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP disclosed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 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-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ABL1, BCR, PDGFRB FPR3 1703/4885FPR2 2009/4885ICAM1 2328/4885

“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.