SCHEMBL4620158

SCHEMBL4620158

CCOc1cc(OC[C@H]2CCCN2C(=O)O)c2c(Cl)ncnc2c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAMKK1 Q8N5S9 3/20 0.38
CAMKK2 Q96RR4 3/20 0.38
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LTA4H P09960 4/20 0.34
FFAR1 O14842 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MAPK7 Q13164 1/20 0.33
FFAR2 O15552 1/20 0.33

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
SCHEMBL2797310 0.97 CAMKK1 (0.39) CAMKK1CAMKK2EGFRERBB2ALDH1A1
SCHEMBL2799360 0.89 EGFR (0.39) EGFRERBB2LTA4H
SCHEMBL3523231 0.87 SPHK2 (0.44) EGFRERBB2HRH3
SCHEMBL4923369 0.86 S1PR1 (0.34) CAMKK1CAMKK2ERBB2ALDH1A1
SCHEMBL4924585 0.82 ALDH1A1 (0.36) CAMKK1CAMKK2ALDH1A1FFAR1
SCHEMBL2797321 0.79 CPT1A (0.36) CAMKK1CAMKK2ALDH1A1LTA4HFFAR1
SCHEMBL5564355 0.75 LTA4H (0.43) LTA4H
SCHEMBL3520160 0.74 EGFR (0.59) EGFRERBB2
SCHEMBL6111518 0.74 EGFR (0.59) EGFRERBB2
SCHEMBL3521645 0.74 EGFR (0.65) EGFRERBB2

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-20080194556-A1 Quinazolines and Their Use as Aurora Kinase Inhibitors ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1888572-A1 QUINAZOLINES AND THEIR USE AS AURORA KINASE INHIBITORS AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006129064-A1 QUINAZOLINES AND THEIR USE AS AURORA KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-12-07 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-20080194556-A1 Quinazolines and Their Use as Aurora Kinase Inhibitors AURKA, AURKC, AURKB CAMKK1 726/4885CAMKK2 795/4885EGFR 816/4885

“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.