SCHEMBL723409

SCHEMBL723409

O=c1[nH]c2nccnc2n1-c1ccc2cn[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 13/20 0.69
MAT2A P31153 1/20 0.41
TDP2 O95551 1/20 0.41
MAPK1 P28482 1/20 0.40
EIF2AK2 P19525 1/20 0.39
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
FGFR1 P11362 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 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
SCHEMBL721923 0.82 MAP3K11 (1.00) MAP3K11
SCHEMBL720594 0.79 MAP3K11 (0.76) MAP3K11
SCHEMBL722680 0.79 MAP3K11 (0.79) MAP3K11
SCHEMBL724420 0.75 MAP3K11 (1.00) MAP3K11
SCHEMBL722945 0.75 MAP3K11 (1.00) MAP3K11
SCHEMBL723924 0.72 MAP3K11 (0.84) MAP3K11
SCHEMBL30615391 0.72 ALDH1A1 (0.61) MAP3K11MAPK1KDM4EMEN1MAPT
SCHEMBL722100 0.71 MAP3K11 (0.43) MAP3K11KDM4EMAPT
SCHEMBL721831 0.70 MEN1 (0.36) MAP3K11MEN1MAPTKMT2A
SCHEMBL26683684 0.70 MAPK1 (0.53) MAP3K11TDP2MAPK1EIF2AK2FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814704-B2 Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2017-11-14 US disclosed
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-11-03 US disclosed
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-01-28 US disclosed
US-9181247-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2015-11-10 US disclosed
US-20150105401-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER (US) 2015-04-16 US disclosed
US-8877772-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors UNIVERSITY OF ROCHESTER (US) 2014-11-04 US disclosed
US-8846909-B2 Bicyclic heteroaryl kinase inhibitors and methods of use UNIVERSITY OF ROCHESTER (US) 2014-09-30 US disclosed
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 US disclosed
US-20120053175-A1 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2012-03-01 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 (5 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-20120053175-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885MAT2A 885/4885TDP2 550/4885
US-20150105401-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885MAT2A 885/4885TDP2 550/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB MAP3K11 45/4885MAT2A 642/4885TDP2 443/4885
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885MAT2A 885/4885TDP2 550/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885MAT2A 885/4885TDP2 550/4885

“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.