SCHEMBL624328

SCHEMBL624328

CCOC(=O)c1cc(-c2ccnc(NC(C)=O)c2)oc1Br

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.45
PIK3C3 Q8NEB9 11/20 0.44
CYP3A4 P08684 4/20 0.42
AAK1 Q2M2I8 3/20 0.42
GSK3B P49841 2/20 0.42
AURKA O14965 1/20 0.41
GSK3A P49840 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL624919 0.81 PIK3C3 (0.38) PIK3C3MAPT
SCHEMBL6935872 0.73 JMJD6 (0.51) PIK3C3KMT2A
SCHEMBL623030 0.73 GSK3B (0.56) GSK3BMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL17840792 0.73 GSK3B (0.46) JAK3PIK3C3CYP3A4AAK1GSK3B
SCHEMBL16896451 0.72 IRAK4 (0.45) JAK3PIK3C3CYP3A4AAK1GSK3B
SCHEMBL29505499 0.72 IRAK4 (0.45) JAK3PIK3C3CYP3A4AAK1GSK3B
SCHEMBL16896573 0.72 MEN1 (0.51) PIK3C3AAK1GSK3BAURKAGSK3A
SCHEMBL19706519 0.71 PIK3C3 (0.56) PIK3C3GSK3B
SCHEMBL25275643 0.70 PIK3C3 (0.44) JAK3PIK3C3CYP3A4AAK1GSK3B
SCHEMBL955917 0.70 CDC7 (0.69) GSK3BMEN1MAPTKMT2A

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
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
EP-2603216-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP 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
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 JAK3 560/4885PIK3C3 52/4885CYP3A4 878/4885

“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.