SCHEMBL5048849

SCHEMBL5048849

COc1cc(C#N)c(/N=C/N(C)C)cc1OCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.42
NSD2 O96028 2/20 0.42
SLC2A1 P11166 1/20 0.41
EHMT2 Q96KQ7 1/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
TGFBR1 P36897 1/20 0.39
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL5048852 1.00 GPR119 (0.42) GPR119NSD2SLC2A1EHMT2PDE4A
SCHEMBL16760543 0.88 ABL1 (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL5049586 0.85 F2RL3 (0.39) GPR119NSD2EHMT2
SCHEMBL5025337 0.84 ABL1 (0.47) NSD2EHMT2
SCHEMBL5025339 0.84 ABL1 (0.47) NSD2EHMT2
SCHEMBL5025172 0.83 ABCB1 (0.47) NSD2EHMT2
SCHEMBL5025175 0.83 ABCB1 (0.47) NSD2EHMT2
SCHEMBL20709081 0.82 GPR119 (0.38) GPR119NSD2EHMT2PDE4APDE4B
SCHEMBL28405729 0.82 GPR119 (0.38) GPR119NSD2EHMT2PDE4APDE4B
SCHEMBL30727149 0.82 GPR119 (0.38) GPR119NSD2EHMT2PDE4APDE4B

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
WO-2015079251-A1 QUINAZOLINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-06-04 WO disclosed
US-7407946-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 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-20060058523-A1 Quinazoline compounds NDUFS5, ABL1, NDUFS7 GPR119 3303/4885NSD2 301/4885SLC2A1 2769/4885

“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.