SCHEMBL5582253

SCHEMBL5582253

CNc1ncc2c(-c3cccc(C#N)c3)ccc(OC)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.49
PDE4D Q08499 2/20 0.46
HPGDS O60760 1/20 0.44
CYP1A2 P05177 6/20 0.44
CYP3A4 P08684 6/20 0.44
CYP2C19 P33261 6/20 0.44
CYP2D6 P10635 4/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
CLK4 Q9HAZ1 5/20 0.42
MAPK1 P28482 4/20 0.42
TSHR P16473 3/20 0.42
AAK1 Q2M2I8 1/20 0.42
ALDH1A1 P00352 3/20 0.41
BRAF P15056 1/20 0.41
LRRK2 Q5S007 2/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MEN1 O00255 3/20 0.40

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
SCHEMBL5581981 0.87 HPGDS (0.42) KITPDE4DHPGDSBRAFLRRK2
SCHEMBL5582307 0.83 PDE4B (0.41) PDE4DADORA1TSHRALDH1A1SCN9A
SCHEMBL5582151 0.83 KIT (0.47) KITSCN9A
SCHEMBL5582203 0.83 HPGDS (0.47) KITPDE4DHPGDSCYP1A2CYP3A4
SCHEMBL5582243 0.82 IDO1 (0.42) KITADORA2AADORA1AAK1EGFR
SCHEMBL5581991 0.82 ADORA2A (0.42) KITHPGDSCYP1A2CYP3A4CYP2C19
SCHEMBL5582146 0.80 JAK3 (0.43) ALDH1A1LRRK2KDRSCN9A
SCHEMBL5582139 0.78 NPC1 (0.54) KITCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5581811 0.77 PDGFRB (0.43) ADORA2AADORA1CLK4ALDH1A1LRRK2
SCHEMBL5582334 0.77 ALDH1A1 (0.40) KITPDE4DADORA1ALDH1A1LRRK2

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 KIT 2918/4885PDE4D 1754/4885HPGDS 4270/4885

“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.