SCHEMBL15051647

SCHEMBL15051647

O=C(Nc1cc(-n2cc(-c3nc[nH]n3)c(-c3ccccc3Cl)n2)ccn1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.46
GSK3A P49840 2/20 0.46
ACVRL1 P37023 2/20 0.45
ABL1 P00519 11/20 0.44
PIK3C3 Q8NEB9 1/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
CDK9 P50750 1/20 0.42
JAK3 P52333 1/20 0.42
MAPK14 Q16539 2/20 0.40

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
SCHEMBL15051059 0.89 JAK2 (0.40) GSK3BGSK3APIK3C3JAK2JAK1
SCHEMBL15072351 0.88 JAK2 (0.42) GSK3BGSK3APIK3C3JAK2JAK1
SCHEMBL15051487 0.83 ABL1 (0.47) GSK3BGSK3AABL1
SCHEMBL15051720 0.83 ABL1 (0.47) GSK3BGSK3AABL1JAK2TYK2
SCHEMBL15051260 0.83 JAK2 (0.39) GSK3BGSK3APIK3C3JAK2JAK1
SCHEMBL15051049 0.81 KDM4E (0.36)
SCHEMBL15051164 0.76 ABL1 (0.44) GSK3BGSK3AABL1JAK2TYK2
SCHEMBL15051073 0.75 JAK2 (0.40) PIK3C3JAK2JAK1TYK2MAPK14
SCHEMBL15051121 0.74 JAK2 (0.41) GSK3BGSK3APIK3C3JAK2JAK1
SCHEMBL15050774 0.74 KDM4E (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 GSK3B 539/4885GSK3A 1516/4885ACVRL1 2252/4885

“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.