SCHEMBL350165

SCHEMBL350165

NS(=O)(=O)c1cccc(Nc2nc3ncnc-3c(NC3CC4CCC3C4)[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 1/20 0.38
CNR2 P34972 1/20 0.37
ROCK1 Q13464 1/20 0.36
CDK2 P24941 5/20 0.35
CDK1 P06493 4/20 0.35
CCNB1 P14635 4/20 0.35
CCNT1 O60563 4/20 0.35
CDK9 P50750 4/20 0.35
CCNE1 P24864 3/20 0.35
CDK5 Q00535 3/20 0.35
CDK5R1 Q15078 3/20 0.35
CCNA2 P20248 2/20 0.35
CCND3 P30281 1/20 0.35
FLT3 P36888 1/20 0.35
CDK6 Q00534 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GPR183 P32249 1/20 0.35
CCNB2 O95067 3/20 0.34

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
SCHEMBL351556 0.85 ADORA2A (0.37) ADORA3ADORA2AADORA1GPR183JAK1
SCHEMBL352615 0.82 PDE9A (0.40) ADORA3ADORA2AADORA1GPR183
SCHEMBL351991 0.80 ALDH1A1 (0.35) ROCK1ADORA3ADORA2AADORA1GPR183
SCHEMBL1306340 0.77 IRAK4 (0.43) IRAK4
SCHEMBL351895 0.77 IRAK4 (0.43) IRAK4
SCHEMBL4420185 0.76 ROCK1 (0.49) TNNI3KROCK1CDK2CDK1CCNB1
SCHEMBL351023 0.75 ADORA3 (0.45) CCND3CDK6ADORA3ADORA2AADORA1
SCHEMBL370217 0.74 ADORA3 (0.34) CNR2ADORA3ADORA2AADORA1GPR183
SCHEMBL10171253 0.71 ADORA3 (0.53) TNNI3KCDK2CDK1CCNB1CCNT1
SCHEMBL352724 0.69 SYK (0.37) ROCK1CDK2CDK1CDK5JAK3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960372-B1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-12-09 EP claimed
EP-1960372-A1 KINASE INHIBITORS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2008-08-27 EP claimed
WO-2007070872-A1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 WO claimed
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-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

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 TNNI3K 79/4885CNR2 4297/4885ROCK1 208/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN TNNI3K 79/4885CNR2 4297/4885ROCK1 208/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 TNNI3K 49/4885CNR2 3336/4885ROCK1 117/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN TNNI3K 79/4885CNR2 4297/4885ROCK1 208/4885

“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.