SCHEMBL10172048

SCHEMBL10172048

Cc1cccc(Nc2nc(NC3C4CC(C3C(N)=O)C3C(c5ccccc5)=NOC43)c3cc[nH]c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.47
PAK4 O96013 4/20 0.40
SYK P43405 7/20 0.36
KCNH2 Q12809 6/20 0.36
JAK3 P52333 1/20 0.36
BTK Q06187 1/20 0.36
MAPK3 P27361 4/20 0.35
MAPK1 P28482 4/20 0.35
AURKB Q96GD4 4/20 0.35
MAP3K7 O43318 1/20 0.35
PDPK1 O15530 1/20 0.34

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
SCHEMBL10171316 0.97 IRAK4 (0.47) IRAK4PAK4SYKKCNH2JAK3
SCHEMBL13660396 0.85 SYK (0.36) IRAK4SYKKCNH2MAPK3MAPK1
SCHEMBL10171312 0.84 JAK3 (0.48) IRAK4SYKJAK3BTK
SCHEMBL14484006 0.84 JAK3 (0.48) IRAK4SYKJAK3BTK
SCHEMBL14484005 0.79 IRAK4 (0.52) IRAK4PAK4SYKKCNH2JAK3
SCHEMBL10172034 0.77 IRAK4 (0.73) IRAK4AURKBMAP3K7
SCHEMBL10171970 0.77 IRAK4 (0.57) IRAK4PAK4SYKKCNH2JAK3
SCHEMBL10172027 0.69 IRAK4 (0.70) IRAK4AURKBMAP3K7
SCHEMBL10171505 0.68 IRAK4 (0.68) IRAK4MAP3K7
SCHEMBL10171491 0.67 IRAK4 (0.70) 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 10 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-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
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-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 239/4885PAK4 325/4885SYK 2/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885PAK4 325/4885SYK 2/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 IRAK4 293/4885PAK4 354/4885SYK 2/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885PAK4 325/4885SYK 2/4885

“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.