SCHEMBL352549

SCHEMBL352549

NC(=O)C1C2C=CC(C2)C1Nc1nc2c(c(Nc3ccc(OCCN4CCCC4)cc3)n1)CN(Cc1ccccc1)CC2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.60
MAP3K7 O43318 8/20 0.60
KDR P35968 2/20 0.45
AURKB Q96GD4 2/20 0.45
BRD4 O60885 3/20 0.42
JAK1 P23458 3/20 0.42
HDAC1 Q13547 3/20 0.42
JAK2 O60674 1/20 0.42
RET P07949 1/20 0.42
TYK2 P29597 1/20 0.42
FLT3 P36888 1/20 0.42
JAK3 P52333 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
AXL P30530 1/20 0.41
ACVR1 Q04771 1/20 0.39
SYK P43405 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL352766 0.82 IRAK4 (0.71) IRAK4MAP3K7KDRAURKBBRD4
SCHEMBL350532 0.79 IRAK4 (0.64) IRAK4MAP3K7KDRAURKBBRD4
SCHEMBL19670060 0.79 IRAK4 (0.64) IRAK4MAP3K7KDRAURKBBRD4
SCHEMBL19754809 0.76 IRAK4 (0.76) IRAK4MAP3K7KDRAURKBBRD4
SCHEMBL19742897 0.76 IRAK4 (0.76) IRAK4MAP3K7KDRAURKBBRD4
SCHEMBL24800066 0.75 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL22452923 0.75 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL19754808 0.75 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL10171510 0.74 IRAK4 (0.70) IRAK4MAP3K7KDRAURKBBRD4
SCHEMBL13443093 0.73 IRAK4 (1.00) IRAK4MAP3K7

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 23 patents — showing the first 20. 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
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 US claimed
US-9834568-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
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
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-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-20120015937-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20100069369-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-20100069369-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-20100069369-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 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 (4 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 36/4885KDR 580/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885MAP3K7 36/4885KDR 580/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 IRAK4 293/4885MAP3K7 24/4885KDR 560/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885MAP3K7 36/4885KDR 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.