SCHEMBL10171225

SCHEMBL10171225

COc1cc(Nc2nc(NC3C4C=CC(C4)C3C(N)=O)c3scc(C)c3n2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.51
AURKB Q96GD4 2/20 0.51
IRAK4 Q9NWZ3 17/20 0.48
MAP3K7 O43318 1/20 0.43
ALK Q9UM73 1/20 0.43

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
SCHEMBL349439 0.87 IRAK4 (0.54) KDRAURKBIRAK4MAP3K7ALK
SCHEMBL353030 0.82 IRAK4 (0.54) KDRAURKBIRAK4ALK
SCHEMBL14484025 0.80 IRAK4 (0.53) KDRAURKBIRAK4MAP3K7ALK
SCHEMBL351555 0.80 IRAK4 (0.49) KDRAURKBIRAK4MAP3K7ALK
SCHEMBL10172029 0.80 KDR (0.54) KDRAURKBIRAK4ALK
SCHEMBL1002521 0.79 KDR (0.68) KDRAURKBIRAK4MAP3K7ALK
SCHEMBL3553074 0.79 KDR (0.68) KDRAURKBIRAK4MAP3K7ALK
SCHEMBL1002524 0.79 KDR (0.68) KDRAURKBIRAK4MAP3K7ALK
SCHEMBL352193 0.77 IRAK4 (0.76) KDRAURKBIRAK4MAP3K7ALK
SCHEMBL352672 0.76 IRAK4 (0.62) KDRAURKBIRAK4MAP3K7ALK

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 13 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-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 KDR 580/4885AURKB 233/4885IRAK4 239/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN KDR 580/4885AURKB 233/4885IRAK4 239/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 KDR 560/4885AURKB 265/4885IRAK4 293/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN KDR 580/4885AURKB 233/4885IRAK4 239/4885

“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.