SCHEMBL10171263

SCHEMBL10171263

COc1cccc(Nc2nc(NC3C4CCC(C4)C3C(=O)NN)c3cc[nH]c3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.48
PAK4 O96013 4/20 0.45
JAK3 P52333 4/20 0.44
BTK Q06187 2/20 0.44
LRRK2 Q5S007 2/20 0.42
PDPK1 O15530 2/20 0.42
EGFR P00533 2/20 0.39
GRK5 P34947 1/20 0.38
JAK2 O60674 1/20 0.38
BRD4 O60885 1/20 0.38
PTK2 Q05397 1/20 0.38

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
SCHEMBL10171970 0.81 IRAK4 (0.57) IRAK4PAK4JAK3BTKLRRK2
SCHEMBL10171321 0.81 IRAK4 (0.59) IRAK4PAK4JAK3BTKPDPK1
SCHEMBL10172027 0.80 IRAK4 (0.70) IRAK4
SCHEMBL10171259 0.76 IRAK4 (0.56) IRAK4PAK4JAK3BTKPDPK1
SCHEMBL10171507 0.75 IRAK4 (0.52) IRAK4PAK4JAK3BTKLRRK2
SCHEMBL10171505 0.73 IRAK4 (0.68) IRAK4
SCHEMBL10171455 0.70 IRAK4 (0.64) IRAK4
SCHEMBL12085411 0.70 PAK4 (0.55) IRAK4PAK4JAK3BTK
SCHEMBL10171163 0.69 JAK3 (0.60) IRAK4JAK3BTKLRRK2PTK2
SCHEMBL10171968 0.69 JAK3 (0.58) IRAK4JAK3BTKEGFRPTK2

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 325/4885JAK3 12/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885PAK4 325/4885JAK3 12/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 IRAK4 293/4885PAK4 354/4885JAK3 12/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885PAK4 325/4885JAK3 12/4885

“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.