SCHEMBL16612434

SCHEMBL16612434

CN(CCCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
LIPG Q9Y5X9 2/20 0.41
LPL P06858 1/20 0.41
ESR1 P03372 1/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 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
SCHEMBL16612419 0.94 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL16491289 0.86 PDK2 (0.45) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL16468314 0.85 CA1 (0.44) KDM4EALDH1A1SMN1; SMN2KMT2ALIPG
SCHEMBL27075535 0.82 LIPG (0.43) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1129541 0.81 CHRNB2 (0.52) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL2801619 0.81 LPL (0.51) ALDH1A1LIPGLPLMAOB
SCHEMBL18124821 0.81 LIPG (0.50) LIPGLPL
SCHEMBL27075532 0.81 LIPG (0.44) ALDH1A1MAPTKMT2ALIPGLPL
SCHEMBL16491292 0.80 PDK2 (0.50) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL16612477 0.80 L3MBTL1 (0.46) KDM4EALDH1A1SMN1; SMN2KMT2ALIPG

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-9751887-B2 Imidazo[1,2-b]pyridazine derivatives as kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-09-05 US disclosed
EP-2857404-B1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO CO LTD (JP) 2017-08-23 EP disclosed
US-20160046639-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-18 US disclosed
EP-2857404-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVE AS KINASE INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2015-04-08 EP 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-20160046639-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS ROS1, JAK1, ERBB2 KDM4E 2596/4885ALDH1A1 860/4885SMN1; SMN2 2475/4885

“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.