SCHEMBL9977584

SCHEMBL9977584

CCCCOc1cc(C#N)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.51
SMPD1 P17405 3/20 0.45
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
PDE4B Q07343 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ICMT O60725 2/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2163665 0.94 AR (0.55) ARPPARDPPARAICMTHTT
SCHEMBL5440161 0.92 AR (0.49) ARPDE4BPDE4APDE4CPDE4D
SCHEMBL7996217 0.88 ALDH1A1 (0.50) ARSMPD1PPARDPPARAICMT
SCHEMBL15364954 0.85 AR (0.49) ARPPARDPPARAPDE4BPDE4A
SCHEMBL1579372 0.85 ALDH1A1 (0.54) SMPD1HTTTSHRALDH1A1HPGD
SCHEMBL523551 0.85 MPO (0.54) ARPPARDPPARAICMTLMNA
SCHEMBL15869350 0.85 TRPV4 (0.56) ARPDE4BPDE4APDE4CPDE4D
SCHEMBL1964286 0.85 TRPV4 (0.56) ARPDE4BPDE4APDE4CPDE4D
SCHEMBL12694547 0.84 AR (0.48) ARPPARDPPARAPDE4BPDE4A
SCHEMBL13126996 0.84 TUBB1 (0.51) ARPPARDPPARAPDE4BPDE4A

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
US-9617227-B2 Process of preparing a quinazoline derivative SCINOPHARM (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2017-04-11 US disclosed
US-20160200688-A1 Process of Preparing a Quinazoline Derivative SCIANDA (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2016-07-14 US disclosed
WO-2012083153-A1 OLIGOMER-CONTAINING APREMILAST MOIETY COMPOUNDS NEKTAR THERAPEUTICS (US) 2012-06-21 WO disclosed
EP-1824479-B1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-11-05 EP 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-20160200688-A1 Process of Preparing a Quinazoline Derivative ABL1, EGFR, KRAS AR 1761/4885SMPD1 4430/4885PPARD 1599/4885

“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.