SCHEMBL9109816

SCHEMBL9109816

COCCC(=O)Nc1cc(-c2nc(-c3nnc[nH]3)c(-c3ccccc3Cl)o2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.48
MAPK10 P53779 1/20 0.48
GSK3B P49841 7/20 0.38
MAPK14 Q16539 9/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CDC7 O00311 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35
CDK2 P24941 1/20 0.35
CDK8 P49336 1/20 0.35
CLK2 P49760 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 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
SCHEMBL9110056 0.92 MAPK14 (0.41) MAPK8MAPK10GSK3BMAPK14SMN1; SMN2
SCHEMBL9104647 0.91 CDC7 (0.42) GSK3BMAPK14SMN1; SMN2KDM4ENPC1
SCHEMBL16167581 0.90 MAPK8 (0.49) MAPK8MAPK10GSK3BMAPK14SMN1; SMN2
SCHEMBL626224 0.89 JAK2 (0.42) GSK3BMAPK14SMN1; SMN2KDM4ENPC1
SCHEMBL9108971 0.87 GSK3B (0.36) MAPK8MAPK10GSK3BMAPK14SMN1; SMN2
SCHEMBL9104044 0.87 MEN1 (0.40) GSK3BMAPK14SMN1; SMN2KDM4ENPC1
SCHEMBL9108071 0.86 MAPK14 (0.46) MAPK10GSK3BMAPK14SMN1; SMN2RAB9A
SCHEMBL9105551 0.84 MAPK14 (0.41) MAPK10GSK3BMAPK14RAB9AGSK3A
SCHEMBL9890572 0.83 GSK3B (0.49) GSK3BMAPK14GSK3A
SCHEMBL9106751 0.83 GSK3B (0.37) GSK3BMAPK14SMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO 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 (1 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 MAPK8 2520/4885MAPK10 1723/4885GSK3B 734/4885

“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.