SCHEMBL624291

SCHEMBL624291

CC(=O)Nc1cc(-c2cc(C(N)=O)c(Br)o2)c(C)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.40
PIK3C3 Q8NEB9 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABL1 P00519 1/20 0.35
CRBN Q96SW2 1/20 0.34
MAP4K1 Q92918 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTK2 Q05397 1/20 0.33
PARP1 P09874 1/20 0.33
DHODH Q02127 1/20 0.33
EGFR P00533 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL624719 0.89 PIK3C3 (0.40) PIK3C3L3MBTL1ABL1CRBNMAP4K1
SCHEMBL624919 0.85 PIK3C3 (0.38) PIK3C3L3MBTL1ALDH1A1HSD17B10
SCHEMBL9107473 0.79 PIK3C3 (0.43) NNMTPIK3C3ABL1MEN1ALDH1A1
SCHEMBL626818 0.77 ABL1 (0.35) PIK3C3L3MBTL1ABL1CRBNMAP4K1
SCHEMBL9890033 0.71 PIK3C3 (0.44) PIK3C3ABL1MEN1ALDH1A1KMT2A
SCHEMBL626235 0.71 ABL1 (0.37) NNMTPIK3C3L3MBTL1ABL1CRBN
SCHEMBL9108874 0.70 PIK3C3 (0.46) PIK3C3ABL1MEN1ALDH1A1KMT2A
SCHEMBL624251 0.70 L3MBTL1 (0.53) PIK3C3L3MBTL1ABL1CRBNMAP4K1
SCHEMBL9108275 0.69 PIK3C3 (0.42) PIK3C3ABL1MEN1ALDH1A1KMT2A
SCHEMBL9113709 0.69 PIK3C3 (0.42) PIK3C3ABL1MEN1ALDH1A1KMT2A

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 NNMT 4441/4885PIK3C3 52/4885L3MBTL1 580/4885

“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.