SCHEMBL4533897

SCHEMBL4533897

Nc1ccc(Cl)c(OC[C@@H]2CCCN2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.50
PREP P48147 3/20 0.42
FAP Q12884 3/20 0.42
DPP8 Q6V1X1 3/20 0.42
DPP9 Q86TI2 3/20 0.42
HCRTR1 O43613 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTA4H P09960 4/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
FFAR1 O14842 1/20 0.38
DPP7 Q9UHL4 2/20 0.37
HCRTR2 O43614 1/20 0.37
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37

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
SCHEMBL4514656 0.91 DPP4 (0.43) DPP4PREPFAPDPP8DPP9
SCHEMBL4534956 0.85 CHRNB4 (0.53) DPP4HCRTR1CHRNB2CHRNA4HCRTR2
SCHEMBL521653 0.85 ALOX5AP (0.47) DPP4
SCHEMBL520556 0.85 ALOX5AP (0.47) DPP4
SCHEMBL520557 0.85 ALOX5AP (0.47) DPP4
SCHEMBL4517266 0.82 FAAH (0.46) DPP4PREPFAPDPP8DPP9
SCHEMBL4359511 0.80 CHRNB4 (0.54) CHRNB2CHRNA4
SCHEMBL521428 0.80 CHRNB4 (0.54) CHRNB2CHRNA4
SCHEMBL13574258 0.76 LTA4H (0.44) DPP4HCRTR1LTA4HFFAR1
SCHEMBL4535781 0.75 ALDH1A1 (0.48) CHRNB2CHRNA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 DPP4 1993/4885PREP 380/4885FAP 4468/4885

“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.