SCHEMBL10171970

SCHEMBL10171970

Cc1cccc(Nc2nc(NC3C4CCC(C4)C3C(N)=O)c3cc[nH]c3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.57
PAK4 O96013 4/20 0.48
AURKB Q96GD4 4/20 0.45
KDR P35968 3/20 0.45
JAK3 P52333 2/20 0.43
BTK Q06187 1/20 0.43
SYK P43405 3/20 0.41
KCNH2 Q12809 3/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL10172034 0.86 IRAK4 (0.73) IRAK4AURKBKDR
SCHEMBL10171507 0.85 IRAK4 (0.52) IRAK4PAK4AURKBKDRJAK3
SCHEMBL12113705 0.81 AURKB (0.44) IRAK4AURKBKDRSYKKCNH2
SCHEMBL10171263 0.81 IRAK4 (0.48) IRAK4PAK4JAK3BTKLRRK2
SCHEMBL14484005 0.80 IRAK4 (0.52) IRAK4PAK4AURKBJAK3BTK
SCHEMBL10171968 0.79 JAK3 (0.58) IRAK4AURKBKDRJAK3BTK
SCHEMBL10171163 0.79 JAK3 (0.60) IRAK4JAK3BTKSYKLRRK2
SCHEMBL10171316 0.77 IRAK4 (0.47) IRAK4PAK4AURKBJAK3BTK
SCHEMBL10172048 0.77 IRAK4 (0.47) IRAK4PAK4AURKBJAK3BTK
SCHEMBL10172027 0.75 IRAK4 (0.70) IRAK4AURKBKDR

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 11 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
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
WO-2007070872-A1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 WO 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 239/4885PAK4 325/4885AURKB 233/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885PAK4 325/4885AURKB 233/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 IRAK4 293/4885PAK4 354/4885AURKB 265/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885PAK4 325/4885AURKB 233/4885

“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.