SCHEMBL3514867

SCHEMBL3514867

COc1c[c]ccc1OCCCN1CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 3/20 0.43
PGK1 P00558 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
PDK2 Q15119 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3515915 0.94 KMT2A (0.52) L3MBTL1POLBKMT2AMEN1ALDH1A1
SCHEMBL3515182 0.79 CYP2D6 (0.55) L3MBTL1POLBKMT2AMEN1ALDH1A1
SCHEMBL3514854 0.76 ABCB1 (0.45) KMT2AMEN1ALDH1A1NPC1KDM4E
SCHEMBL2976035 0.75 POLB (0.56) L3MBTL1POLBKMT2AMEN1ALDH1A1
SCHEMBL9934739 0.75 KMT2A (0.44) L3MBTL1POLBKMT2AMEN1ALDH1A1
SCHEMBL2976094 0.74 POLB (0.55) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3515962 0.73 TSHR (0.60) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3514642 0.73 CYP2D6 (0.42) L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4581970 0.72 L3MBTL1 (0.48) L3MBTL1POLBKMT2AMEN1PGK1
SCHEMBL3513581 0.72 HRH2 (0.39) KMT2AMEN1ALDH1A1KDM4E

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
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB L3MBTL1 1874/4885POLB 3390/4885KMT2A 1287/4885

“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.