SCHEMBL9890572

SCHEMBL9890572

O=C(Nc1cc(-c2nc(-c3nnc[nH]3)c(-c3ccccc3Cl)o2)ccn1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.49
MAPK14 Q16539 11/20 0.49
ABL1 P00519 4/20 0.46
ACVRL1 P37023 1/20 0.44
GSK3A P49840 2/20 0.44

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
SCHEMBL626224 0.89 JAK2 (0.42) GSK3BMAPK14ACVRL1GSK3A
SCHEMBL627636 0.86 ABL1 (0.47) ABL1
SCHEMBL9108071 0.85 MAPK14 (0.46) GSK3BMAPK14GSK3A
SCHEMBL9104647 0.85 CDC7 (0.42) GSK3BMAPK14GSK3A
SCHEMBL9110056 0.85 MAPK14 (0.41) GSK3BMAPK14GSK3A
SCHEMBL9104044 0.85 MEN1 (0.40) GSK3BMAPK14GSK3A
SCHEMBL9105551 0.83 MAPK14 (0.41) GSK3BMAPK14GSK3A
SCHEMBL9109816 0.83 MAPK8 (0.48) GSK3BMAPK14GSK3A
SCHEMBL9108971 0.83 GSK3B (0.36) GSK3BMAPK14GSK3A
SCHEMBL10182180 0.83 GSK3B (0.50) GSK3BMAPK14ABL1ACVRL1GSK3A

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 2 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-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 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 (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 GSK3B 734/4885MAPK14 1532/4885ABL1 652/4885

“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.