SCHEMBL10139593

SCHEMBL10139593

CN1CCC[C@H]1COc1ccc(Nc2nc(N[C@@H]3C4C=CC(C4)[C@@H]3C(N)=O)c3sccc3n2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 0.67
KDR P35968 2/20 0.51
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
DCLK1 O15075 1/20 0.51
PDPK1 O15530 1/20 0.51
DAPK3 O43293 1/20 0.51
JAK2 O60674 1/20 0.51
ROCK2 O75116 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
CHEK2 O96017 1/20 0.51
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
PRKCG P05129 1/20 0.51
INSR P06213 1/20 0.51

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
SCHEMBL19670061 1.00 IRAK4 (0.67) IRAK4KDRCDC7PLK4CHEK1
SCHEMBL351786 1.00 IRAK4 (0.67) IRAK4KDRCDC7PLK4CHEK1
SCHEMBL351787 1.00 IRAK4 (0.67) IRAK4KDRCDC7PLK4CHEK1
SCHEMBL349754 0.87 IRAK4 (0.80) IRAK4KDRCDC7PLK4CHEK1
SCHEMBL350171 0.82 IRAK4 (0.89) IRAK4KDRCDC7PLK4CHEK1
SCHEMBL352187 0.81 IRAK4 (0.85) IRAK4KDRCDC7PLK4CHEK1
SCHEMBL351034 0.80 IRAK4 (0.80) IRAK4KDRCDC7PLK4CHEK1
SCHEMBL351039 0.80 IRAK4 (0.72) IRAK4KDRCDC7PLK4CHEK1
SCHEMBL351007 0.80 IRAK4 (0.74) IRAK4KDRCDC7PLK4CHEK1
SCHEMBL351248 0.79 IRAK4 (0.73) IRAK4KDRCDC7PLK4CHEK1

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-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-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-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 239/4885KDR 580/4885CDC7 467/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885KDR 580/4885CDC7 467/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 IRAK4 293/4885KDR 560/4885CDC7 732/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885KDR 580/4885CDC7 467/4885

“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.