SCHEMBL5568756

SCHEMBL5568756

CN(C)CC(=O)N1CCC(Oc2ccc3ncnc(Cl)c3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.47
EGFR P00533 2/20 0.44
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
MELK Q14680 3/20 0.42
CYP3A4 P08684 1/20 0.41
TTK P33981 1/20 0.41
MTNR1B P49286 2/20 0.40
CHRM4 P08173 2/20 0.40
MTNR1A P48039 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL14489815 0.84 GPR119 (0.47) ERBB2EGFRCHRM4
SCHEMBL14489819 0.84 EGFR (0.49) ERBB2EGFRPIK3CDPIK3CAMTNR1B
SCHEMBL5567844 0.82 ERBB2 (0.58) ERBB2EGFR
SCHEMBL5564230 0.82 EGFR (0.55) ERBB2EGFR
SCHEMBL5569914 0.82 EGFR (0.53) ERBB2EGFRPIK3CDPIK3CAMTNR1B
SCHEMBL1446657 0.82 EGFR (0.59) ERBB2EGFR
SCHEMBL5564929 0.82 PIK3CD (0.51) ERBB2PIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL5564704 0.81 ERBB2 (0.57) ERBB2EGFR
SCHEMBL1527983 0.81 EGFR (0.47) ERBB2EGFRMTNR1BCHRM4
Hydrochloric Acid SCHEMBL4967454 0.80 EGFR (0.46) ERBB2EGFRMTNR1BCHRM4

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 ERBB2 2/4885EGFR 15/4885PIK3CD 294/4885

“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.