SCHEMBL3513232

SCHEMBL3513232

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.50
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
DGAT1 O75907 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
DRD2 P14416 4/20 0.40
CYP1A1 P04798 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP3A43 Q9HB55 1/20 0.40
AXL P30530 2/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 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
SCHEMBL26000464 0.92 AAK1 (0.53) AAK1PRMT5WDR77DGAT1CA12
SCHEMBL5914922 0.86 ALDH1A1 (0.48) AAK1DGAT1ALDH1A1L3MBTL1
SCHEMBL16586615 0.84 AAK1 (0.66) AAK1PRMT5WDR77DGAT1CA12
SCHEMBL29366130 0.84 AAK1 (0.51) AAK1PRMT5WDR77DGAT1CA12
SCHEMBL19493289 0.84 AAK1 (0.51) AAK1PRMT5WDR77DGAT1CA12
SCHEMBL2146802 0.83 AAK1 (0.49) AAK1PRMT5WDR77DGAT1CA12
SCHEMBL16493221 0.83 AAK1 (0.60) AAK1PRMT5WDR77DGAT1CA12
SCHEMBL26702931 0.82 PRMT5 (0.49) AAK1PRMT5WDR77DGAT1DRD2
SCHEMBL16101389 0.82 AAK1 (0.45) AAK1PRMT5WDR77DGAT1CA12
SCHEMBL4124783 0.81 CA12 (0.48) AAK1PRMT5WDR77CA12CA1

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO disclosed
US-20060014776-A1 Antitumoral compounds INSTITUTO BIOMAR S.A. (ES) 2006-01-19 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-20060014776-A1 Antitumoral compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ASAH2, CCNT1 AAK1 3937/4885PRMT5 3453/4885WDR77 3981/4885
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A AAK1 95/4885PRMT5 1390/4885WDR77 1607/4885

“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.