SCHEMBL5582041

SCHEMBL5582041

CCOC(=O)CCc1cc(-c2cncc(Cl)c2)c2cnc(N(CC)CC)nc2c1OC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TNF P01375 2/20 0.32
POLB P06746 1/20 0.32
ESR2 Q92731 1/20 0.32
PTGES O14684 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL5581670 0.91 PTGES (0.38) TDP1PTGESPTGS2
SCHEMBL5582069 0.81 CCNC (0.37) DPP4TDP1
SCHEMBL5582072 0.81 CCNC (0.37) DPP4TDP1
SCHEMBL5581855 0.79 RXFP1 (0.33) TDP1
SCHEMBL5581769 0.78 TDP1 (0.36) TDP1
SCHEMBL5581758 0.78 TDP1 (0.36) TDP1
SCHEMBL5581764 0.78 TDP1 (0.36) TDP1
SCHEMBL5582308 0.73 MEN1 (0.38) POLB
SCHEMBL5582222 0.70 KDM4E (0.40) PTGESPTGS2
SCHEMBL5581874 0.66 ADORA1 (0.43)

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 DPP4 1346/4885TDP1 2572/4885TNF 4881/4885

“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.