SCHEMBL15050804

SCHEMBL15050804

CCCn1cc(-c2cc(NC(=O)C3CC3)ncc2C)cc1-c1nc[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
GSK3B P49841 2/20 0.39
TYK2 P29597 1/20 0.38
WNT1 P04628 1/20 0.38
DYRK1A Q13627 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
SCHEMBL15051751 0.88 ABL1 (0.42) ABL1PIK3C3
SCHEMBL15051283 0.83 ABL1 (0.43) ABL1PIK3C3GSK3BWNT1DYRK1A
SCHEMBL15051050 0.79 ABL1 (0.43) ABL1PIK3C3
SCHEMBL15050990 0.71 ABL1 (0.42) ABL1PIK3C3GSK3BWNT1DYRK1A
SCHEMBL27196852 0.71 WNT1 (0.47) ABL1GSK3BWNT1DYRK1A
SCHEMBL15051578 0.69 PIK3C3 (0.43) ABL1PIK3C3TYK2DYRK1A
SCHEMBL15051487 0.68 ABL1 (0.47) ABL1GSK3B
SCHEMBL15051712 0.68 PIK3C3 (0.40) ABL1PIK3C3TYK2DYRK1A
SCHEMBL15051164 0.66 ABL1 (0.44) ABL1GSK3BTYK2
SCHEMBL15050952 0.64 PIK3C3 (0.42) ABL1PIK3C3

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
EP-2793879-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP claimed
WO-2013096637-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO claimed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US claimed
WO-2013096637-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B ABL1 711/4885PIK3C3 143/4885GSK3B 547/4885

“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.