SCHEMBL351381

SCHEMBL351381

NC(=O)C1C2C=CC(C2)C1Nc1[nH]c(Nc2ccc(OCCN3CCCC3)cc2)nc2ncnc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.59
MAP3K7 O43318 6/20 0.58
BRD4 O60885 3/20 0.40
JAK1 P23458 3/20 0.40
HDAC1 Q13547 3/20 0.40
JAK2 O60674 1/20 0.40
RET P07949 1/20 0.40
TYK2 P29597 1/20 0.40
FLT3 P36888 1/20 0.40
JAK3 P52333 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CHEK2 O96017 1/20 0.38
AURKB Q96GD4 2/20 0.38
KDM4E B2RXH2 1/20 0.37
KDR P35968 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB2 P49721 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL351304 0.88 IRAK4 (0.51) IRAK4MAP3K7AURKBKDR
SCHEMBL351751 0.88 IRAK4 (0.51) IRAK4MAP3K7JAK2RETTYK2
SCHEMBL352258 0.86 IRAK4 (0.45) IRAK4MAP3K7AURKBKDR
SCHEMBL1325549 0.86 IRAK4 (0.45) IRAK4MAP3K7AURKBKDR
SCHEMBL352581 0.86 IRAK4 (0.45) IRAK4MAP3K7AURKBKDR
SCHEMBL1305373 0.84 INSR (0.43) IRAK4MAP3K7
SCHEMBL1306157 0.81 INSR (0.51) IRAK4MAP3K7AURKBKDR
SCHEMBL350890 0.80 IRAK4 (0.41) IRAK4MAP3K7AURKBKDR
SCHEMBL350889 0.80 IRAK4 (0.41) IRAK4MAP3K7AURKBKDR
SCHEMBL1305159 0.80 IRAK4 (0.38) IRAK4MAP3K7FLT3AURKBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960372-B1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-12-09 EP claimed
EP-1960372-A1 KINASE INHIBITORS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2008-08-27 EP claimed
WO-2007070872-A1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 WO claimed
US-9834568-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20160024116-A1 Kinase Inhibitors And Their Uses MIDCAP FINANCIAL TRUST 2016-01-28 US disclosed
EP-1960372-B1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-12-09 EP disclosed
US-9096542-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20120015937-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-8053434-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-11-08 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 (2 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-20120015937-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885MAP3K7 36/4885BRD4 950/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885MAP3K7 36/4885BRD4 950/4885

“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.