SCHEMBL5581817

SCHEMBL5581817

COc1c(Br)cc(-c2cccc(Cl)c2)c2cnc(NC(C)C)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
TRPA1 O75762 2/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA1 P30542 3/20 0.36
PFKFB3 Q16875 1/20 0.36
NR1I3 Q14994 1/20 0.35
PDE1B Q01064 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
RPS6KB1 P23443 1/20 0.35
SCN9A Q15858 1/20 0.35
BCL6 P41182 1/20 0.35
FGFR1 P11362 1/20 0.35
IDH1 O75874 1/20 0.34
DHFR P00374 1/20 0.34
NUDT1 P36639 1/20 0.34

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
SCHEMBL5582085 0.89 CSNK2A2 (0.38) CSNK2A2CSNK2BCSNK2A1MEN1TSHR
SCHEMBL5582009 0.86 ADORA1 (0.41) CSNK2A2CSNK2BCSNK2A1MEN1TSHR
SCHEMBL5582140 0.84 ADORA1 (0.50) CSNK2A2CSNK2BCSNK2A1ADORA1
SCHEMBL5582126 0.83 PDE5A (0.43) MEN1TSHRKMT2AADORA1FGFR1
SCHEMBL5581989 0.82 DHFR (0.51) MEN1TSHRKMT2AADORA1DHFR
SCHEMBL5581717 0.82 TSHR (0.39) MEN1TSHRKMT2AADORA1NR1I3
SCHEMBL5582246 0.82 STK4 (0.43) ADORA1
SCHEMBL5582245 0.81 CSNK2A1 (0.51) CSNK2A2CSNK2BCSNK2A1ADORA1MAPK1
SCHEMBL5582200 0.80 MAPT (0.43) MEN1TSHRKMT2AADORA1NR1I3
SCHEMBL5581986 0.79 CSNK2A2 (0.36) CSNK2A2CSNK2BCSNK2A1ADORA1SCN9A

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 CSNK2A2 467/4885CSNK2B 662/4885CSNK2A1 602/4885

“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.