SCHEMBL488950

SCHEMBL488950

Clc1cccc(Cl)c1COc1cccnc1Nc1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.57
SYK P43405 2/20 0.51
EPHX2 P34913 4/20 0.49
KDM4E B2RXH2 3/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.47
SRC P12931 2/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE4D Q08499 1/20 0.47
KCNH2 Q12809 1/20 0.47
EGFR P00533 3/20 0.46
BTK Q06187 1/20 0.46
KDR P35968 2/20 0.46
AIMP2 Q13155 1/20 0.46
GRK2 P25098 1/20 0.46

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
SCHEMBL3459344 0.79 SRC (0.59) SYKEPHX2KDM4ETP53TSHR
SCHEMBL14578174 0.78 EPHX2 (0.61) SYKEPHX2KDM4ETP53TSHR
SCHEMBL4209736 0.76 EPHX2 (0.54) SYKEPHX2KDM4ETP53TSHR
SCHEMBL30453737 0.75 MET (0.86) METKDM4ETP53TSHRALDH1A1
SCHEMBL488229 0.75 MET (0.86) METKDM4ETP53TSHRALDH1A1
SCHEMBL3458627 0.73 EPHX2 (0.64) EPHX2KDM4EALDH1A1EGFR
SCHEMBL487596 0.73 MET (1.00) METKDM4ETP53TSHRALDH1A1
SCHEMBL14621966 0.72 EPHX2 (0.59) EPHX2KDM4ETP53TSHRALDH1A1
SCHEMBL488949 0.72 MET (0.61) METEPHX2KDM4ETP53TSHR
SCHEMBL3459161 0.71 SRC (0.57) SYKEPHX2KDM4ETP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 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 (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-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 MET 1/4885SYK 1169/4885EPHX2 3179/4885

“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.