SCHEMBL4291320

SCHEMBL4291320

COc1cc(C#N)c(/N=C\N(C)C)cc1OC[C@H]1CCCN1CCOC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.35
CHRNA3 P32297 5/20 0.35
FAAH O00519 2/20 0.34
ABL1 P00519 5/20 0.33
SRC P12931 5/20 0.33
ABL2 P42684 5/20 0.33
EHMT2 Q96KQ7 1/20 0.32
CHEK1 O14757 2/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
DRD3 P35462 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL4291327 1.00 CHRNB4 (0.35) CHRNB4CHRNA3FAAHABL1SRC
SCHEMBL4293967 0.82 SRC (0.40) ABL1SRCABL2EHMT2
SCHEMBL4293968 0.82 SRC (0.40) ABL1SRCABL2EHMT2
SCHEMBL5049586 0.81 F2RL3 (0.39) CHRNB4CHRNA3EHMT2
SCHEMBL4288363 0.80 CHRNB4 (0.37) CHRNB4CHRNA3ABL1SRCABL2
SCHEMBL4288369 0.80 CHRNB4 (0.37) CHRNB4CHRNA3ABL1SRCABL2
SCHEMBL5025339 0.79 ABL1 (0.47) ABL1SRCABL2EHMT2NOS2
SCHEMBL5025337 0.79 ABL1 (0.47) ABL1SRCABL2EHMT2NOS2
SCHEMBL5048849 0.74 GPR119 (0.42) EHMT2
SCHEMBL5048852 0.74 GPR119 (0.42) EHMT2

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
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
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 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 (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-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB CHRNB4 2727/4885CHRNA3 2273/4885FAAH 4702/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB CHRNB4 3097/4885CHRNA3 2170/4885FAAH 4655/4885

“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.