SCHEMBL10083069

SCHEMBL10083069

Cc1nc2c(C)c(C)sc2c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
PIM1 P11309 2/20 0.48
PIM2 Q9P1W9 1/20 0.48
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
PARP1 P09874 6/20 0.40
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
ROCK1 Q13464 1/20 0.37
HIF1A Q16665 1/20 0.35
ADORA3 P0DMS8 2/20 0.35

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
SCHEMBL13947834 0.80 KDM4E (0.42) MAPK1PIM1PIM2HPGDKDM4E
SCHEMBL16298727 0.69 MAPK1 (1.00) MAPK1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL429293 0.68 PIM1 (0.53) PIM1PIM2HPGDHTTPARP1
SCHEMBL8145442 0.68 PIM1 (0.43) MAPK1PIM1PIM2HPGDHTT
SCHEMBL432011 0.67 KDM4E (0.67) MAPK1PIM1PIM2HPGDCDC7
SCHEMBL13322482 0.67 MAPK1 (0.42) MAPK1PIM1PIM2HPGDHTT
SCHEMBL14337027 0.64 PARP1 (0.50) MAPK1PARP1KDM4ECYP1A2CYP2D6
SCHEMBL13757234 0.64 GAA (0.34) MAPK1CDC7DBF4
SCHEMBL13406334 0.64 ALDH1A1 (0.43) MAPK1HPGDPARP1KDM4ECYP1A2
SCHEMBL18711464 0.64 CDC7 (0.60) MAPK1PIM1PIM2HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170209452-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-07-27 US disclosed
US-9655900-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-23 US disclosed
US-20160310494-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-10-27 US disclosed
US-9388195-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-12 US disclosed
US-20150158882-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2015-06-11 US disclosed
US-8933069-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
US-8921354-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20140235615-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-21 US disclosed
US-20140228352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-8722660-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20130029969-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-31 US disclosed
US-8148384-B2 8-bromo-2-[(3-hydroxyphenylamino)methyl]-3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-one; ischemia reperfusion injury, inflammatory disease, retroviral infections, ischemia reperfusion injury, myocardial infarction ABBOTT LABORATORIES (US) 2012-04-03 US disclosed
US-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2009-01-29 US disclosed
US-20080161559-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2008-07-03 US 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-20160310494-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MAPK1 481/4885PIM1 1738/4885PIM2 2981/4885
US-20130029969-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MAPK1 481/4885PIM1 1738/4885PIM2 2981/4885
US-20150158882-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MAPK1 481/4885PIM1 1738/4885PIM2 2981/4885
US-20080161559-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS PIM1, PIM3, PIM2 MAPK1 486/4885PIM1 1/4885PIM2 3/4885
US-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS PIM1, PIM3, PIM2 MAPK1 486/4885PIM1 1/4885PIM2 3/4885
US-20140228352-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MAPK1 481/4885PIM1 1738/4885PIM2 2981/4885
US-20140235615-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MAPK1 481/4885PIM1 1738/4885PIM2 2981/4885
US-20170209452-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MAPK1 481/4885PIM1 1738/4885PIM2 2981/4885

“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.