SCHEMBL488949

SCHEMBL488949

Nc1nccc(-c2cccc(OCCN3CCOCC3)c2)c1OCc1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.61
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 2/20 0.44
ACHE P22303 1/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
RAB9A P51151 1/20 0.42
KDR P35968 2/20 0.42
PIK3CA P42336 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
IGF1R P08069 1/20 0.41
PRKAB2 O43741 1/20 0.41
LCK P06239 1/20 0.41
SRC P12931 1/20 0.41
FLT1 P17948 1/20 0.41

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
SCHEMBL488229 0.81 MET (0.86) METKDM4EALDH1A1TP53TSHR
SCHEMBL30453737 0.81 MET (0.86) METKDM4EALDH1A1TP53TSHR
SCHEMBL30454825 0.79 MET (0.65) METKDM4EALDH1A1TP53TSHR
SCHEMBL487852 0.79 MET (0.65) METKDM4EALDH1A1TP53TSHR
SCHEMBL487596 0.76 MET (1.00) METKDM4EALDH1A1TP53TSHR
SCHEMBL488950 0.72 MET (0.57) METKDM4EALDH1A1TP53TSHR
SCHEMBL488104 0.72 MET (0.70) METKDM4EALDH1A1NPC1ACHE
SCHEMBL30454537 0.72 MET (0.70) METKDM4EALDH1A1NPC1ACHE
SCHEMBL18996610 0.70 PRKAB2 (0.57) METKDM4EALDH1A1TP53TSHR
SCHEMBL29711611 0.70 PRKAB2 (0.57) METKDM4EALDH1A1TP53TSHR

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 1/4885KDM4E 875/4885ALDH1A1 2031/4885

“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.