SCHEMBL5564355

SCHEMBL5564355

O=C(O)N1CCC[C@H]1COc1ccc2ncnc(Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.43
ALOX5AP P20292 7/20 0.40
HCRTR1 O43613 1/20 0.39
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 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
SCHEMBL3163185 0.76 FFAR1 (0.55) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5050666 0.76 LTA4H (0.69) LTA4H
SCHEMBL5569332 0.75 EGFR (0.47) HCRTR1
SCHEMBL4620158 0.75 CAMKK1 (0.38) LTA4H
SCHEMBL16754893 0.74 LTA4H (0.37) LTA4HALOX5AP
SCHEMBL3523231 0.74 SPHK2 (0.44) CHRNB2CHRNA4
SCHEMBL15811746 0.74 ABHD6 (0.54) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4140738 0.74 ABHD6 (0.54) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3828498 0.73 LTA4H (0.46) LTA4HCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL16468435 0.73 LTA4H (0.49) LTA4HCHRNB2CHRNA4

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-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-08 US disclosed
EP-1664028-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026151-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 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-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ABL1, ERBB2, LCK LTA4H 4685/4885ALOX5AP 4791/4885HCRTR1 4727/4885

“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.