SCHEMBL721831

SCHEMBL721831

O=c1[nH]c2nccnc2n1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
PABPC1 P11940 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAP3K11 Q16584 6/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GRM4 Q14833 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DAO P14920 1/20 0.33
PRKCA P17252 1/20 0.32
PRKCQ Q04759 1/20 0.32

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
SCHEMBL722100 0.78 MAP3K11 (0.43) ALDH1A1MAP3K11MAPTHPGDDAO
SCHEMBL4013679 0.76 MAP3K11 (0.55) MAP3K11
SCHEMBL30615391 0.75 ALDH1A1 (0.61) MEN1KMT2ALMNAALDH1A1MAP3K11
SCHEMBL13068123 0.67 FEN1 (0.40) LMNAALDH1A1MAPTDAO
SCHEMBL29795155 0.67 LMNA (0.46) MEN1KMT2ALMNAPABPC1ALDH1A1
SCHEMBL30615446 0.67 DAO (0.54) MEN1KMT2ALMNAALDH1A1PDE4B
SCHEMBL11556143 0.67 DAO (0.54) MEN1KMT2ALMNAALDH1A1PDE4B
SCHEMBL6219762 0.65 GAA (0.50) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL6806339 0.64 GAA (0.48) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL722835 0.63 ADORA3 (0.54) MEN1KMT2AALDH1A1MAP3K11SMN1; SMN2

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 MEN1 1723/4885KMT2A 587/4885LMNA 1449/4885
US-20150105401-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MEN1 1723/4885KMT2A 587/4885LMNA 1449/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB MEN1 3771/4885KMT2A 544/4885LMNA 1662/4885
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MEN1 1723/4885KMT2A 587/4885LMNA 1449/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MEN1 1723/4885KMT2A 587/4885LMNA 1449/4885

“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.