SCHEMBL4395829

SCHEMBL4395829

O=C(Nc1ccncc1)c1c[nH]c(-c2cc[c]cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.41
NT5E P21589 1/20 0.41
JAK2 O60674 5/20 0.40
TYK2 P29597 4/20 0.40
JAK1 P23458 2/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
GAA P10253 1/20 0.40
MDM2 Q00987 1/20 0.39
MEN1 O00255 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
MAPK1 P28482 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
SCHEMBL3461990 0.77 ADORA3 (0.30)
SCHEMBL3462706 0.77 GRM4 (0.53) KMT2ALMNAMAPTPOLBSMN1; SMN2
SCHEMBL2104875 0.76 CNR1 (0.39) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL3463061 0.75 HPGD (0.43) KDM4EL3MBTL1KMT2ACYP3A4LMNA
SCHEMBL4404257 0.75 HSD11B1 (0.40) KMT2ASMN1; SMN2MEN1CD38NPC1
SCHEMBL3461765 0.74 TP53 (0.40) KDM4EL3MBTL1JAK2LMNAPOLB
SCHEMBL3462453 0.72 HPGD (0.45) KDM4EKMT2ALMNAMAPTSMN1; SMN2
SCHEMBL3719350 0.72 KDM4E (0.75) KDM4EL3MBTL1KMT2ANT5EJAK2
SCHEMBL3462632 0.71 ADORA2A (0.46) KDM4EKMT2ALMNAPOLBSMN1; SMN2
SCHEMBL3461664 0.71 RAD52 (0.42) KMT2APOLBSMN1; SMN2MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 US disclosed
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2009-12-17 US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 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 (7 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-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 KDM4E 3267/4885L3MBTL1 2781/4885KMT2A 1501/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 KDM4E 3116/4885L3MBTL1 2793/4885KMT2A 1491/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 KDM4E 3267/4885L3MBTL1 2781/4885KMT2A 1501/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 KDM4E 3267/4885L3MBTL1 2781/4885KMT2A 1501/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 KDM4E 3267/4885L3MBTL1 2781/4885KMT2A 1501/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 KDM4E 3267/4885L3MBTL1 2781/4885KMT2A 1501/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 KDM4E 3116/4885L3MBTL1 2793/4885KMT2A 1491/4885

“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.