SCHEMBL9105551

SCHEMBL9105551

O=C(Cc1ccc(O)cc1)Nc1cc(-c2nc(-c3nnc[nH]3)c(-c3ccccc3Cl)o2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.41
WNT3A P56704 2/20 0.41
RIOK2 Q9BVS4 3/20 0.40
GSK3A P49840 1/20 0.40
MAPK10 P53779 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
GSK3B P49841 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KDR P35968 1/20 0.38
CSNK1D P48730 1/20 0.37

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
SCHEMBL9108071 0.94 MAPK14 (0.46) MAPK14WNT3ARIOK2GSK3AMAPK10
SCHEMBL626224 0.88 JAK2 (0.42) MAPK14RIOK2GSK3AGSK3BKMT2A
SCHEMBL9104647 0.86 CDC7 (0.42) MAPK14GSK3AGSK3BRAB9A
SCHEMBL9110056 0.85 MAPK14 (0.41) MAPK14GSK3AMAPK10GSK3BRAB9A
SCHEMBL9104044 0.85 MEN1 (0.40) MAPK14GSK3AGSK3BKMT2AMEN1
SCHEMBL9106751 0.84 GSK3B (0.37) MAPK14GSK3AGSK3BRAB9A
SCHEMBL9109816 0.84 MAPK8 (0.48) MAPK14GSK3AMAPK10GSK3BRAB9A
SCHEMBL9108971 0.84 GSK3B (0.36) MAPK14GSK3AMAPK10GSK3BRAB9A
SCHEMBL9890572 0.83 GSK3B (0.49) MAPK14GSK3AGSK3B
SCHEMBL9890636 0.76 MEN1 (0.41) MAPK14GSK3AGSK3BKMT2AMEN1

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 5 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-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 MAPK14 1532/4885WNT3A 2738/4885RIOK2 2878/4885

“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.