SCHEMBL5582236

SCHEMBL5582236

CNc1ncc2c(-c3ccccc3Cl)ccc(OC)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
MERTK Q12866 2/20 0.39
PAK1 Q13153 1/20 0.39
TSHR P16473 7/20 0.39
CYP1A2 P05177 7/20 0.39
CYP3A4 P08684 7/20 0.39
CYP2D6 P10635 6/20 0.39
CYP2C19 P33261 6/20 0.39
ALOX15 P16050 1/20 0.39
SIK1 P57059 1/20 0.39
SIK2 Q9H0K1 1/20 0.39
SIK3 Q9Y2K2 1/20 0.39
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5582220 0.90 LRRK2 (0.39) LRRK2MERTKAXLTYRO3ALDH1A1
SCHEMBL5581909 0.85 ALDH1A1 (0.46) LRRK2SIK1SIK2SIK3ALDH1A1
SCHEMBL5582243 0.83 IDO1 (0.42) MERTKAXLTYRO3KMT2ANPC1
SCHEMBL5581786 0.81 ALDH1A1 (0.41) LRRK2MERTKALOX15SIK2TYRO3
SCHEMBL5581811 0.81 PDGFRB (0.43) LRRK2SIK2SIK3ALDH1A1CLK4
SCHEMBL5582209 0.80 PTK2 (0.46) MERTKCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5582334 0.80 ALDH1A1 (0.40) LRRK2SIK2ALDH1A1CRHR1PDE4D
SCHEMBL5582108 0.79 PAK1 (0.39) LRRK2MERTKPAK1TSHRCYP1A2
SCHEMBL5582323 0.78 PDGFRB (0.42) LRRK2MERTKAXLTYRO3ALDH1A1
SCHEMBL5581749 0.78 FYN (0.43) SIK2EGFR

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 LRRK2 176/4885MERTK 4744/4885PAK1 2683/4885

“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.