SCHEMBL5581981

SCHEMBL5581981

CNc1ncc2c(-c3cncc(C#N)c3)ccc(OC)c2n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
LRRK2 Q5S007 2/20 0.39
PRKCQ Q04759 5/20 0.38
KIT P10721 2/20 0.36
ALPL P05186 3/20 0.36
SCN9A Q15858 1/20 0.36
POLQ O75417 1/20 0.36
PLK1 P53350 1/20 0.35
BRAF P15056 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL5582253 0.87 KIT (0.49) HPGDSLRRK2KITSCN9ABRAF
SCHEMBL5581743 0.83 ALDH1A1 (0.40) PRKCQALPLPDE4D
SCHEMBL5581557 0.81 POLQ (0.35) HPGDSLRRK2POLQBRAFP4HTM
SCHEMBL5582341 0.79 PDE4D (0.45) KITBRAFPDE4D
SCHEMBL5582139 0.78 NPC1 (0.54) PRKCQKIT
SCHEMBL5582243 0.78 IDO1 (0.42) KIT
SCHEMBL5582334 0.77 ALDH1A1 (0.40) LRRK2KITSCN9APDE4D
SCHEMBL5582316 0.76 SLC22A12 (0.42) LRRK2POLQ
SCHEMBL5581786 0.76 ALDH1A1 (0.41) LRRK2PRKCQKITALPLSCN9A
SCHEMBL5581811 0.75 PDGFRB (0.43) LRRK2PRKCQSCN9A

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-20070225308-A1 2-Amino Quinazoline Derivative KYOWA HAKKO KOGYO CO.,LTD. (JP) 2007-09-27 US disclosed
EP-1726584-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-29 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 (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-20070225308-A1 2-Amino Quinazoline Derivative AGTR2, ABL1, AGTR1 HPGDS 4270/4885LRRK2 176/4885PRKCQ 3970/4885

“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.