SCHEMBL3513032

SCHEMBL3513032

COC(=O)COc1cc[c]cc1C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 3/20 0.41
MAPK1 P28482 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MCL1 Q07820 1/20 0.39
PARP1 P09874 1/20 0.39
HMGCR P04035 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6199939 0.87 KMT2A (0.52) MEN1KMT2ACYP1A2LMNASMN1; SMN2
SCHEMBL9023825 0.83 LMNA (0.45) MEN1KMT2ACYP1A2LMNASMN1; SMN2
SCHEMBL9025222 0.83 LMNA (0.47) MEN1KMT2ACYP1A2LMNASMN1; SMN2
SCHEMBL9024048 0.80 LMNA (0.45) MEN1KMT2ACYP1A2LMNASMN1; SMN2
SCHEMBL2551636 0.79 PARP10 (0.41) MEN1KMT2ACYP1A2LMNAMAPT
SCHEMBL9449849 0.79 LMNA (0.55) MEN1KMT2ACYP1A2LMNASMN1; SMN2
SCHEMBL25044302 0.78 PARP1 (0.58) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL9024146 0.78 L3MBTL1 (0.45) MEN1KMT2ACYP1A2LMNAMAPT
SCHEMBL3515911 0.76 CYP4F2 (0.36) KDM4EALDH1A1PARP1
SCHEMBL4573655 0.73 PTGDR (0.55) CYP1A2LMNAMAPTNPC1RAB9A

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 claimed
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

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A MEN1 4716/4885KMT2A 3440/4885CYP1A2 1446/4885

“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.