SCHEMBL4200616

SCHEMBL4200616

NCc1ccccc1Sc1ccc2nnc(-c3cccc(OCCN4CCOCC4)c3)n2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ACHE P22303 1/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
MET P08581 1/20 0.39
LTA4H P09960 1/20 0.38
MAPK14 Q16539 3/20 0.38
BACE1 P56817 1/20 0.38
SRC P12931 1/20 0.38
PIM1 P11309 1/20 0.37
LRRK2 Q5S007 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL1284252 0.86 KDM4E (0.43) KDRADORA2AADORA1ACHENPC1
SCHEMBL1284209 0.84 KDR (0.43) KDRADORA2AADORA1ACHENPC1
SCHEMBL4195227 0.84 BRD4 (0.42) ADORA2AADORA1KDM4ETP53TSHR
SCHEMBL1284483 0.82 KDR (0.42) KDRADORA2AADORA1ACHENPC1
SCHEMBL4203744 0.81 MAPK14 (0.42) MAPK14LRRK2
SCHEMBL1283747 0.80 MAPK14 (0.49) KDRADORA2AADORA1ACHENPC1
SCHEMBL4195291 0.80 HRH3 (0.40) TSHRMETMAPK14
SCHEMBL10070557 0.79 KDM4E (0.50) KDRADORA2AADORA1ACHENPC1
SCHEMBL15028634 0.79 MET (0.53) KDRADORA2AADORA1ACHENPC1
SCHEMBL1283925 0.79 KDM4E (0.47) KDRADORA2AADORA1ACHENPC1

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-20090012079-A1 Triazolopyridine Compounds LEWTHWAITE RUSSELL ANDREW 2009-01-08 US disclosed
US-20090012079-A1 Triazolopyridine Compounds LEWTHWAITE RUSSELL ANDREW 2009-01-08 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-20090012079-A1 Triazolopyridine Compounds MAPKAPK5, MAPK1, MAPK4 KDR 4064/4885ADORA2A 2828/4885ADORA1 2206/4885

“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.