SCHEMBL10172040

SCHEMBL10172040

NC(=O)C1C2C=CC(C2)C1Nc1nc(Nc2ccc3[nH]ccc3c2)nc2[nH]ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 17/20 0.67
SYK P43405 2/20 0.48
MET P08581 2/20 0.45
ALK Q9UM73 2/20 0.45
KDR P35968 2/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DCLK1 O15075 1/20 0.45
PDPK1 O15530 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
ROCK2 O75116 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
CHEK2 O96017 1/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45

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
SCHEMBL10171161 0.87 IRAK4 (0.52) IRAK4SYKMETALKKDR
SCHEMBL10171250 0.87 IRAK4 (0.52) IRAK4SYKMETALKKDR
SCHEMBL10171507 0.86 IRAK4 (0.52) IRAK4SYKKDRPAK4JAK3
SCHEMBL10172034 0.85 IRAK4 (0.73) IRAK4KDRAURKB
SCHEMBL12113535 0.84 IRAK4 (0.49) IRAK4SYKMETALKKDR
SCHEMBL10171223 0.84 IRAK4 (0.62) IRAK4SYKKDRAURKALCK
SCHEMBL10171491 0.83 IRAK4 (0.70) IRAK4
SCHEMBL10172027 0.83 IRAK4 (0.70) IRAK4ALKKDRAURKB
SCHEMBL10172038 0.82 IRAK4 (0.63) IRAK4KDRPAK4LRRK2AURKB
SCHEMBL351555 0.82 IRAK4 (0.49) IRAK4SYKMETALKKDR

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-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-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
US-20100069369-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
WO-2007070872-A1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 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-20120015937-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885SYK 2/4885MET 520/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885SYK 2/4885MET 520/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 IRAK4 293/4885SYK 2/4885MET 486/4885

“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.