SCHEMBL1283750

SCHEMBL1283750

O=[N+]([O-])c1ccc(Sc2ccc3nnc(-c4cccc(OCCN5CCOCC5)c4)n3c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
KDR P35968 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ACHE P22303 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MET P08581 1/20 0.38
MAPK9 P45984 2/20 0.37
MAPKAPK2 P49137 2/20 0.37
LTA4H P09960 1/20 0.37
PTGS2 P35354 1/20 0.37
LMNA P02545 2/20 0.36
PPARG P37231 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1284483 0.87 KDR (0.42) KDM4ENPC1RAB9AKDRADORA2A
SCHEMBL1284252 0.81 KDM4E (0.43) KDM4ENPC1ALDH1A1RAB9AKDR
SCHEMBL1284209 0.80 KDR (0.43) KDM4ENPC1RAB9AKDRADORA2A
SCHEMBL1283747 0.79 MAPK14 (0.49) KDM4ENPC1RAB9AKDRADORA2A
SCHEMBL4200616 0.78 KDR (0.40) KDM4ENPC1RAB9AKDRADORA2A
SCHEMBL15028634 0.76 MET (0.53) KDM4ENPC1ALDH1A1RAB9AKDR
SCHEMBL10070557 0.76 KDM4E (0.50) KDM4ENPC1ALDH1A1RAB9AKDR
SCHEMBL1284047 0.76 KDM4E (0.47) KDM4ENPC1ALDH1A1RAB9AKDR
SCHEMBL1283925 0.76 KDM4E (0.47) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL1283717 0.75 HTR7 (0.45) KDM4EKDRTP53TSHRROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557797-B2 Triazolopyridine derivatives and their therapeutic use CHIESI FARMACEUTICI S.P.A. (IT) 2013-10-15 US disclosed
US-8557797-B2 Triazolopyridine derivatives and their therapeutic use CHIESI FARMACEUTICI S.P.A. (IT) 2013-10-15 US disclosed
US-8557797-B2 Triazolopyridine derivatives and their therapeutic use CHIESI FARMACEUTICI S.P.A. (IT) 2013-10-15 US disclosed
US-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-04-12 US disclosed
US-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-04-12 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-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CNKSR1, MOK, MAPK1 SMN1; SMN2 4215/4885KDM4E 3026/4885NPC1 4414/4885

“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.