SCHEMBL2248377

SCHEMBL2248377

O=C(O)c1ccc(Nc2ncccn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.68
AURKB Q96GD4 2/20 0.67
CAMK2D Q13557 2/20 0.60
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GSK3B P49841 2/20 0.54
CSNK2A1 P68400 2/20 0.54
GSK3A P49840 1/20 0.54
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52
IKBKG Q9Y6K9 1/20 0.52

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
SCHEMBL11136814 0.85 AURKA (0.58) AURKAAURKBCAMK2DNPC1RAB9A
SCHEMBL21725113 0.83 AURKA (0.49) AURKAAURKBCAMK2D
SCHEMBL21724333 0.83 MAPK8 (0.64) AURKAAURKBGSK3BIKBKB
SCHEMBL1023029 0.82 NPC1 (0.71) AURKAAURKBCAMK2DNPC1RAB9A
SCHEMBL17512579 0.81 AURKA (0.72) AURKAAURKBCAMK2DNPC1RAB9A
SCHEMBL4569980 0.81 RHOA (0.72) AURKAAURKBCAMK2DNPC1RAB9A
SCHEMBL3645658 0.80 GSK3B (0.61) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL4872174 0.80 HCAR3 (0.63) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL29874885 0.80 NPC1 (0.69) AURKAAURKBCAMK2DNPC1RAB9A
SCHEMBL13502763 0.80 AURKA (0.75) AURKAAURKBCAMK2DNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof AMGEN INC. (US) 2023-02-07 US disclosed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
CN-101223130-A Glutamate aggrecanase inhibitors WYETH CORP (US) 2008-07-16 CN disclosed
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 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 (3 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 AURKA 1290/4885AURKB 1058/4885CAMK2D 365/4885
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof CYP3A7, CYP51A1, NT5C3B AURKA 496/4885AURKB 667/4885CAMK2D 4340/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 AURKA 1290/4885AURKB 1058/4885CAMK2D 365/4885

“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.