SCHEMBL17857285

SCHEMBL17857285

CC(C)(C)C(=O)Nc1ccc(N2CCOCC2)nn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
PKM P14618 1/20 0.50
CNR2 P34972 2/20 0.46
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALOX12 P18054 1/20 0.42

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
SCHEMBL23768195 0.79 KDM4E (0.52) KDM4EPKMCNR2RAB9AALDH1A1
SCHEMBL1399272 0.77 MAPT (0.68) RAB9AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL19913061 0.76 CNR2 (0.46) KDM4ECNR2RAB9AALDH1A1MAPT
SCHEMBL16840723 0.76 KDM4E (0.56) KDM4EPKMCNR2RAB9AALDH1A1
SCHEMBL17857301 0.75 GAA (0.44) KDM4ECNR2RAB9AALDH1A1MAPT
SCHEMBL21119857 0.74 GAA (0.48) KDM4ECNR2ALDH1A1MAPTGAA
SCHEMBL5754979 0.73 ALDH1A1 (0.61) KDM4EPKMCNR2RAB9AALDH1A1
SCHEMBL10970673 0.73 KDM4E (0.56) KDM4EPKMCNR2RAB9AALDH1A1
Sulfuric Acid SCHEMBL11167741 0.72 KDM4E (0.59) KDM4EPKMCNR2RAB9AALDH1A1
Hydrochloric Acid SCHEMBL11192350 0.72 KDM4E (0.55) KDM4EPKMCNR2RAB9AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233839-B1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-25 EP disclosed
EP-3233862-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-07-03 EP disclosed
US-10202387-B2 Heterocyclyl linked imidazopyridazine derivatives as PI3KB inhibitors JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 US disclosed
US-20180057496-A1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS JANSSEN-CILAG (FR) 2018-03-01 US disclosed
WO-2016097359-A1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 WO disclosed
WO-2016097347-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS ΡΙ3Κβ INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 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 (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-10202387-B2 Heterocyclyl linked imidazopyridazine derivatives as PI3KB inhibitors PIK3CB, PIK3CD, PIK3CA KDM4E 1958/4885PKM 1341/4885CNR2 1333/4885
US-20180057496-A1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS PIK3CB, PIK3CD, PIK3CA KDM4E 1958/4885PKM 1341/4885CNR2 1333/4885

“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.