SCHEMBL5585115

SCHEMBL5585115

CNc1ncc2c(-c3ccc4nonc4c3)cc(Br)c(OC)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
PTPN11 Q06124 9/20 0.35
PDE4B Q07343 1/20 0.34
NQO2 P16083 1/20 0.33
CNR2 P34972 1/20 0.33
TDO2 P48775 2/20 0.33
EGFR P00533 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BRD4 O60885 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL5581881 0.82 KMO (0.37) NQO2TDO2EGFRKCNH2IDO1
SCHEMBL5585214 0.82 PDE4B (0.42) PIK3CDPTPN11PDE4BCNR2TDO2
SCHEMBL5585215 0.82 PTPN11 (0.46) PIK3CDPTPN11PDE4B
SCHEMBL5581980 0.81 NQO2 (0.36) NQO2TDO2EGFRALDH1A1IDO1
SCHEMBL5582141 0.81 NQO2 (0.41) NQO2TDO2EGFRTDP1IDO1
SCHEMBL5581982 0.80 PTK2 (0.36) NQO2EGFR
SCHEMBL5581567 0.79 CSNK2A1 (0.40)
SCHEMBL5582085 0.79 CSNK2A2 (0.38) NQO2EGFRBRD4
SCHEMBL5581776 0.79 FYN (0.39) NQO2EGFRKDM4EHPGDBRD4
SCHEMBL5581933 0.78 CCR4 (0.33) NQO2TDO2EGFRIDO1

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 PIK3CD 3580/4885PTPN11 542/4885PDE4B 1056/4885

“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.