SCHEMBL5582260

SCHEMBL5582260

COc1c(-c2ccc(C(=O)O)cc2)cc(-c2cccc(C#N)c2)c2cnc(N(C)C)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
CYP1A2 P05177 4/20 0.41
CASP1 P29466 3/20 0.41
CASP7 P55210 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP2D6 P10635 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTPN11 Q06124 1/20 0.39
NLRP3 Q96P20 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
CYP2C9 P11712 2/20 0.38
SLC22A12 Q96S37 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 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
SCHEMBL5581974 0.86 MAP4K4 (0.45) PDE4APDE4CPDE4DALDH1A1MAP4K4
SCHEMBL5582314 0.86 PDE4A (0.43) PDE4APDE4CPDE4DCYP1A2MEN1
SCHEMBL5581890 0.83 PDE4A (0.46) PDE4APDE4CPDE4DCYP1A2MEN1
SCHEMBL5582048 0.82 CYP1A2 (0.41) PDE4APDE4CPDE4DCYP1A2CASP1
SCHEMBL5582044 0.82 CYP1A2 (0.41) CYP1A2CASP1CASP7HSD17B10CYP2D6
SCHEMBL5582046 0.82 CYP1A2 (0.41) CYP1A2CASP1CASP7HSD17B10CYP2D6
SCHEMBL5582132 0.81 CYP1A2 (0.43) CYP1A2CASP1CASP7HSD17B10CYP2D6
SCHEMBL5581841 0.80 NPC1 (0.41) PDE4APDE4CPDE4DMEN1KMT2A
SCHEMBL5582006 0.77 CCNC (0.41) CYP1A2CASP1CASP7HSD17B10CYP2D6
SCHEMBL5582008 0.77 CCNC (0.41) CYP1A2CASP1CASP7HSD17B10CYP2D6

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 PDE4A 1628/4885PDE4C 1763/4885PDE4D 1754/4885

“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.