SCHEMBL6526757

SCHEMBL6526757

Nc1n[nH]c2ccc(C=O)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.55
PDPK1 O15530 3/20 0.55
KIF11 P52732 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
JAK1 P23458 3/20 0.44
TYK2 P29597 3/20 0.44
JAK3 P52333 3/20 0.44
ROCK1 Q13464 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
PRKD3 O94806 2/20 0.43
LIMK1 P53667 2/20 0.43
PLK4 O00444 2/20 0.43
DAPK3 O43293 2/20 0.43
DYRK3 O43781 2/20 0.43
ROCK2 O75116 2/20 0.43
MAP4K4 O95819 2/20 0.43
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43

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
SCHEMBL13727221 0.85 PDPK1 (0.55) JAK2PDPK1KIF11KDM4ECYP3A4
SCHEMBL3534726 0.81 KIF11 (0.47) JAK2PDPK1KIF11KDM4EJAK1
SCHEMBL29953125 0.81 KIF11 (0.47) JAK2PDPK1KIF11KDM4EJAK1
SCHEMBL29956683 0.80 KIF11 (0.46) JAK2PDPK1KIF11KDM4ETTK
SCHEMBL29953542 0.80 KIF11 (0.46) JAK2PDPK1KIF11KDM4ECLK4
SCHEMBL29954719 0.80 KIF11 (0.46) JAK2PDPK1KIF11KDM4EJAK1
SCHEMBL181661 0.80 KIF11 (0.46) JAK2KIF11KDM4ETTKCYP2A6
SCHEMBL1411783 0.80 KIF11 (0.46) JAK2PDPK1KIF11KDM4EJAK1
SCHEMBL17927605 0.80 KIF11 (0.46) JAK2PDPK1KIF11KDM4ETTK
SCHEMBL182436 0.80 KIF11 (0.46) JAK2PDPK1KIF11KDM4ECLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
US-8765748-B2 Indazolyl, benzimidazolyl, benzotriazolyl substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 CN disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK 2011-03-17 US disclosed
CN-101970426-A Indazolyl-, benzimidazolyl-, benzotriazolyl-substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIV HEALTH NETWORK 2011-02-09 CN 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 (8 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK JAK2 60/4885PDPK1 147/4885KIF11 1587/4885
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 JAK2 39/4885PDPK1 246/4885KIF11 818/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK JAK2 48/4885PDPK1 57/4885KIF11 1421/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK JAK2 60/4885PDPK1 147/4885KIF11 1587/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK JAK2 60/4885PDPK1 147/4885KIF11 1587/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 JAK2 73/4885PDPK1 88/4885KIF11 1823/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK JAK2 37/4885PDPK1 143/4885KIF11 1709/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK JAK2 37/4885PDPK1 143/4885KIF11 1709/4885

“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.