SCHEMBL4293967

SCHEMBL4293967

COc1cc(C#N)c(/N=C\N(C)C)cc1OCCC1CCN(CCOC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.40
ABL1 P00519 3/20 0.40
ABL2 P42684 3/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2C P28335 1/20 0.37
NSD2 O96028 4/20 0.35
EHMT2 Q96KQ7 4/20 0.35
KCNH2 Q12809 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
HSP90AB1 P08238 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL4293968 1.00 SRC (0.40) SRCABL1ABL2DRD2DRD4
SCHEMBL4291320 0.82 CHRNB4 (0.35) SRCABL1ABL2EHMT2
SCHEMBL4291327 0.82 CHRNB4 (0.35) SRCABL1ABL2EHMT2
SCHEMBL5025339 0.81 ABL1 (0.47) SRCABL1ABL2NSD2EHMT2
SCHEMBL5025337 0.81 ABL1 (0.47) SRCABL1ABL2NSD2EHMT2
SCHEMBL5023804 0.80 SRC (0.49) SRCABL1ABL2DRD2HTR2C
SCHEMBL17922753 0.78 MAP2K1 (0.49) SRCABL1
SCHEMBL5027821 0.78 MAP2K1 (0.49) SRCABL1
SCHEMBL5027818 0.78 MAP2K1 (0.49) SRCABL1
SCHEMBL5025126 0.78 SRC (0.47) SRCABL1ABL2DRD2HTR2C

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 SRC 785/4885ABL1 61/4885ABL2 536/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB SRC 754/4885ABL1 18/4885ABL2 416/4885

“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.