SCHEMBL10171214

SCHEMBL10171214

COc1ccc(Nc2nc(NC3C4C=CC(C4)C3C(N)=O)c3nc[nH]c3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.51
AURKB Q96GD4 9/20 0.51
IRAK4 Q9NWZ3 9/20 0.49
INSR P06213 1/20 0.49
ALK Q9UM73 1/20 0.49
SYK P43405 2/20 0.47
AURKA O14965 1/20 0.47
LCK P06239 1/20 0.47
PDGFRA P16234 1/20 0.47
FGFR2 P21802 1/20 0.47
WEE1 P30291 1/20 0.47
FLT3 P36888 1/20 0.47
GSK3B P49841 1/20 0.47
PRKCE Q02156 1/20 0.47
MAP3K7 O43318 1/20 0.47

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
SCHEMBL10171483 0.91 KDR (0.51) KDRAURKBIRAK4INSRALK
SCHEMBL10171242 0.90 IRAK4 (0.55) KDRAURKBIRAK4ALKMAP3K7
SCHEMBL10171485 0.88 KDR (0.51) KDRAURKBIRAK4INSRALK
SCHEMBL12112326 0.87 KDR (0.46) KDRAURKBIRAK4SYKAURKA
SCHEMBL10172029 0.86 KDR (0.54) KDRAURKBIRAK4INSRALK
SCHEMBL10171480 0.85 IRAK4 (0.53) KDRAURKBIRAK4INSRALK
SCHEMBL10171498 0.85 KDR (0.49) KDRAURKBIRAK4INSRALK
SCHEMBL10171510 0.85 IRAK4 (0.70) KDRAURKBIRAK4FLT3MAP3K7
SCHEMBL10171241 0.84 KDR (0.50) KDRAURKBIRAK4INSRALK
SCHEMBL10172001 0.84 IRAK4 (0.55) KDRAURKBIRAK4INSRALK

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 14 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
EP-1960372-B1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-12-09 EP 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.