SCHEMBL4288369

SCHEMBL4288369

COc1cc(C#N)c(N=CN(C)C)cc1OC[C@H]1CCCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
DPP4 P27487 5/20 0.37
IRAK4 Q9NWZ3 3/20 0.35
MCHR1 Q99705 2/20 0.33
ABL1 P00519 2/20 0.33
SRC P12931 2/20 0.33
ABL2 P42684 2/20 0.33
LPAR1 Q92633 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP8 Q6V1X1 3/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL4288363 1.00 CHRNB4 (0.37) CHRNB4CHRNA3DPP4IRAK4MCHR1
SCHEMBL5049586 0.90 F2RL3 (0.39) CHRNB4CHRNA3DPP4IRAK4
SCHEMBL16760508 0.84 ABL1 (0.38) ABL1SRCABL2
SCHEMBL16760543 0.84 ABL1 (0.38) ABL1SRCABL2
SCHEMBL4291320 0.80 CHRNB4 (0.35) CHRNB4CHRNA3ABL1SRCABL2
SCHEMBL4291327 0.80 CHRNB4 (0.35) CHRNB4CHRNA3ABL1SRCABL2
SCHEMBL5025339 0.79 ABL1 (0.47) ABL1SRCABL2
SCHEMBL5025337 0.79 ABL1 (0.47) ABL1SRCABL2
SCHEMBL16760505 0.79 HPGD (0.46) LMNAALDH1A1KMT2A
SCHEMBL16760431 0.79 HPGD (0.46) LMNAALDH1A1KMT2A

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
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US 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-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB CHRNB4 3097/4885CHRNA3 2170/4885DPP4 3470/4885

“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.