SCHEMBL5581944

SCHEMBL5581944

CNc1ncc2c(-c3ccc(Cl)s3)cc(Br)c(OC)c2n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
CCR4 P51679 2/20 0.34
CCR5 P51681 1/20 0.34
NQO2 P16083 1/20 0.32
EGFR P00533 1/20 0.32
PTPN11 Q06124 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL5581980 0.81 NQO2 (0.36) CCR4NQO2EGFR
SCHEMBL5582108 0.80 PAK1 (0.39) PDGFRBPDGFRANQO2EGFR
SCHEMBL5581933 0.80 CCR4 (0.33) CCR4NQO2EGFR
SCHEMBL5582323 0.80 PDGFRB (0.42) PDGFRBPDGFRACCR4CCR5PTPN11
SCHEMBL5581779 0.80 PDE4B (0.39) PDGFRBPDGFRA
SCHEMBL5582165 0.79 SIK1 (0.39) CCR4NQO2EGFR
SCHEMBL5581881 0.79 KMO (0.37) PDGFRBPDGFRACCR4NQO2EGFR
SCHEMBL5582141 0.78 NQO2 (0.41) NQO2EGFRADORA2A
SCHEMBL5582213 0.78 EGFR (0.38) CCR4NQO2EGFR
SCHEMBL5582085 0.78 CSNK2A2 (0.38) CCR4NQO2EGFR

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 PDGFRB 2343/4885PDGFRA 2202/4885CCR4 3108/4885

“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.