SCHEMBL5486142

SCHEMBL5486142

Cc1nc(N2CCCC2CO)c2ccc(OCc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 7/20 0.53
SCN7A Q01118 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
MAP2K7 O14733 1/20 0.41
MAOB P27338 2/20 0.41
METAP2 P50579 1/20 0.40
ACVR1 Q04771 1/20 0.40
SPHK1 Q9NYA1 6/20 0.40
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
MAOA P21397 1/20 0.39
CYP3A4 P08684 1/20 0.39
PDK2 Q15119 2/20 0.39
PDK4 Q16654 1/20 0.39

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
SCHEMBL5486137 1.00 SPHK2 (0.53) SPHK2SCN7AKCNH2HRH3MAP2K7
SCHEMBL5486462 0.90 SPHK2 (0.41) SPHK2MAP2K7ACVR1SPHK1CCNE2
SCHEMBL5486454 0.90 SPHK2 (0.41) SPHK2MAP2K7ACVR1SPHK1CCNE2
SCHEMBL5488381 0.88 SPHK2 (0.49) SPHK2MAP2K7ACVR1SPHK1CCNE2
SCHEMBL5488384 0.88 SPHK2 (0.49) SPHK2MAP2K7ACVR1SPHK1CCNE2
SCHEMBL5040525 0.86 SPHK2 (0.53) SPHK2SCN7AKCNH2HRH3MAOB
SCHEMBL5035994 0.86 SPHK2 (0.53) SPHK2SCN7AKCNH2HRH3MAOB
SCHEMBL5035995 0.86 SPHK2 (0.53) SPHK2SCN7AKCNH2HRH3MAOB
SCHEMBL5486197 0.83 CCNE2 (0.44) MAP2K7MAOBACVR1CCNE2CDK4
SCHEMBL5486187 0.83 CCNE2 (0.44) MAP2K7MAOBACVR1CCNE2CDK4

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-7205309-B2 Quinazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1560816-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 US disclosed
WO-2004005265-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO 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-20040029901-A1 Quinazoline derivatives GPR119, NQO2, CYP7A1 SPHK2 2812/4885SCN7A 920/4885KCNH2 2426/4885

“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.