SCHEMBL5582048

SCHEMBL5582048

C=C(C(=O)O)c1cc(-c2cccc(C#N)c2)c2cnc(N(C)C)nc2c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP2D6 P10635 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.38
CYP2C9 P11712 2/20 0.38
USP2 O75604 2/20 0.38
CYP3A4 P08684 3/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
LRRK2 Q5S007 2/20 0.36
NLRP3 Q96P20 1/20 0.35
HPGDS O60760 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL5582260 0.82 PDE4A (0.45) CYP1A2CASP1CASP7HSD17B10CYP2D6
SCHEMBL5582046 0.82 CYP1A2 (0.41) CYP1A2CASP1CASP7HSD17B10CYP2D6
SCHEMBL5582044 0.82 CYP1A2 (0.41) CYP1A2CASP1CASP7HSD17B10CYP2D6
SCHEMBL5582132 0.81 CYP1A2 (0.43) CYP1A2CASP1CASP7HSD17B10CYP2D6
SCHEMBL5582008 0.77 CCNC (0.41) CYP1A2CASP1CASP7HSD17B10CYP2D6
SCHEMBL5582006 0.77 CCNC (0.41) CYP1A2CASP1CASP7HSD17B10CYP2D6
SCHEMBL5582203 0.76 HPGDS (0.47) CYP1A2CASP1CASP7HSD17B10CYP2D6
SCHEMBL5581841 0.69 NPC1 (0.41) MEN1KMT2AALDH1A1CYP2C9CYP3A4
SCHEMBL5582167 0.69 KDM4E (0.41) ALDH1A1PTGDR2
SCHEMBL5581769 0.69 TDP1 (0.36)

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 CYP1A2 55/4885CASP1 3115/4885CASP7 3383/4885

“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.