SCHEMBL1818352

SCHEMBL1818352

O=c1[nH]nc2cc(-c3ccccc3)ccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.50
MET P08581 1/20 0.50
LTK P29376 1/20 0.50
GRK5 P34947 1/20 0.50
CDK8 P49336 1/20 0.50
RPS6KA3 P51812 1/20 0.50
MST1R Q04912 1/20 0.50
TYRO3 Q06418 1/20 0.50
DYRK1A Q13627 1/20 0.50
LRRK2 Q5S007 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
ALK Q9UM73 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
KDR P35968 8/20 0.49
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
FLT3 P36888 3/20 0.42
PDE5A O76074 1/20 0.42
GRM2 Q14416 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
SCHEMBL23858893 0.80 PDE3B (0.48) RETMETLTKGRK5CDK8
SCHEMBL18632538 0.76 SCN5A (0.57) RETMETLTKGRK5CDK8
SCHEMBL18632530 0.75 SCN5A (0.62) RETMETLTKGRK5CDK8
SCHEMBL18632535 0.75 SCN5A (0.62) RETMETLTKGRK5CDK8
SCHEMBL103370 0.74 LTK (0.50) RETMETLTKGRK5CDK8
SCHEMBL20772757 0.74 PARP1 (0.42) RETMETLTKGRK5CDK8
SCHEMBL12090712 0.74 KDM4E (0.50) CHEK1
SCHEMBL1815038 0.74 LTK (0.36) RETMETLTKGRK5CDK8
SCHEMBL16439323 0.74 CHEK1 (0.45) RETMETLTKGRK5CDK8
SCHEMBL11075249 0.73 LTK (0.49) RETMETLTKGRK5CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
EP-2498775-A1 NEW 7-PHENYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE DERIVATIVES Almirall S.A. (ES) 2012-09-19 EP disclosed
EP-2498775-A1 NEW 7-PHENYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE DERIVATIVES Almirall S.A. (ES) 2012-09-19 EP disclosed
US-20120225904-A1 New 7-Phenyl-[1,2,4]triazolo[4,3-a]Pyridin-3(2H)-One Derivatives ALMIRALL, S.A. (ES) 2012-09-06 US disclosed
US-20120225904-A1 New 7-Phenyl-[1,2,4]triazolo[4,3-a]Pyridin-3(2H)-One Derivatives ALMIRALL, S.A. (ES) 2012-09-06 US disclosed
CN-102639132-A Novel 7-phenyl- [1,2,4] triazolo [4,3-a ] pyridin-3 (2H) -one derivatives ALMIRALL SA 2012-08-15 CN disclosed
WO-2011057757-A1 NEW 7-PHENYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE DERIVATIVES ALMIRALL, S.A. (ES) 2011-05-19 WO disclosed
WO-2011057757-A1 NEW 7-PHENYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE DERIVATIVES ALMIRALL, S.A. (ES) 2011-05-19 WO disclosed
EP-2322176-A1 New 7-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one derivatives Almirall, S.A. (ES) 2011-05-18 EP disclosed
EP-2322176-A1 New 7-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one derivatives Almirall, S.A. (ES) 2011-05-18 EP 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 (2 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-20120225904-A1 New 7-Phenyl-[1,2,4]triazolo[4,3-a]Pyridin-3(2H)-One Derivatives MAPK7, MAPK1, MAP3K7 RET 641/4885MET 1150/4885LTK 350/4885
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease OAT, XDH, MAPT RET 840/4885MET 900/4885LTK 1701/4885

“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.