SCHEMBL5581989

SCHEMBL5581989

COc1c(Br)cc(-c2cccc(Cl)c2)c2cnc(N)nc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.51
ADORA1 P30542 4/20 0.48
ADORA2A P29274 3/20 0.48
CLK1 P49759 5/20 0.41
FYN P06241 2/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CDC7 O00311 1/20 0.39
TDO2 P48775 1/20 0.38
PTPN11 Q06124 1/20 0.38
DHPS P49366 1/20 0.37
MAP4K4 O95819 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL5582021 0.87 ADORA1 (0.44) ADORA1ADORA2ACLK1FYNMEN1
SCHEMBL5582200 0.87 MAPT (0.43) DHFRADORA1ADORA2AFYNMEN1
SCHEMBL5581717 0.86 TSHR (0.39) DHFRADORA1ADORA2AFYNMEN1
SCHEMBL5582085 0.84 CSNK2A2 (0.38) DHFRADORA1FYNMEN1TSHR
SCHEMBL5582009 0.82 ADORA1 (0.41) ADORA1ADORA2AMEN1TSHRKMT2A
SCHEMBL5581817 0.82 CSNK2A2 (0.41) DHFRADORA1MEN1TSHRKMT2A
SCHEMBL5582130 0.82 POLB (0.41) CLK1MEN1KMT2APDE4APDE4B
SCHEMBL5582140 0.80 ADORA1 (0.50) ADORA1ADORA2AMAP4K4
SCHEMBL5582014 0.80 DHFR (0.54) DHFRADORA1ADORA2AFYNTSHR
SCHEMBL5582238 0.79 MAP4K4 (0.52) DHFRADORA1ADORA2AFYNMAP4K4

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 DHFR 1735/4885ADORA1 406/4885ADORA2A 1251/4885

“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.