SCHEMBL5662903

SCHEMBL5662903

Nc1ccc(C(=O)N2CCC3CCCCC3C2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.52
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 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
SCHEMBL5662899 0.85 CNR2 (0.52) CNR2F2PLGPRSS1PRSS2
SCHEMBL3913114 0.82 CNR2 (0.49) CNR2F2PLGPRSS1PRSS2
SCHEMBL5662551 0.80 SMN1; SMN2 (0.65) MEN1ALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL3426843 0.79 HPGD (0.55) MEN1ALDH1A1KMT2AHSD11B1HPGD
SCHEMBL3913108 0.79 CNR2 (0.48) CNR2F2PLGPRSS1PRSS2
SCHEMBL5663191 0.78 HSD11B1 (0.48) CNR2HSD11B1HPGDSMN1; SMN2RAB9A
SCHEMBL3826882 0.78 HPGD (0.58) MEN1ALDH1A1KMT2AHSD11B1HPGD
SCHEMBL2950806 0.78 HPGD (0.58) MEN1ALDH1A1KMT2AHSD11B1HPGD
SCHEMBL11888856 0.77 RAB9A (0.68) ALDH1A1KMT2AHSD11B1HPGDSMN1; SMN2
SCHEMBL3507330 0.77 RXFP1 (0.57) MEN1ALDH1A1KMT2AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (2 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 CNR2 542/4885F2 1402/4885PLG 4197/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 CNR2 658/4885F2 3222/4885PLG 3829/4885

“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.