SCHEMBL10171253

SCHEMBL10171253

NS(=O)(=O)c1cccc(Nc2nc(NC3CC4CCC3C4)c3nc[nH]c3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.53
ADORA2A P29274 2/20 0.53
ADORA1 P30542 2/20 0.53
GPR183 P32249 1/20 0.53
PDE5A O76074 5/20 0.46
CDK1 P06493 3/20 0.45
CDK2 P24941 3/20 0.45
CCNB1 P14635 2/20 0.45
CCNA2 P20248 2/20 0.45
CCNB2 O95067 1/20 0.45
NEK2 P51955 1/20 0.45
CCNA1 P78396 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
TNNI3K Q59H18 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
BRD4 O60885 1/20 0.41
SRC P12931 2/20 0.40
MTOR P42345 1/20 0.40
SMG1 Q96Q15 1/20 0.40
CCNT1 O60563 1/20 0.39

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
SCHEMBL10171219 0.84 ADORA3 (0.57) ADORA3ADORA2AADORA1GPR183IRAK4
SCHEMBL10171936 0.82 ADORA3 (0.55) ADORA3ADORA2AADORA1GPR183CDK1
SCHEMBL10171965 0.80 ADORA3 (0.52) ADORA3ADORA2AADORA1GPR183CDK1
SCHEMBL10171497 0.78 ADORA3 (0.52) ADORA3ADORA2AADORA1GPR183IRAK4
SCHEMBL10171191 0.76 IRAK4 (0.55) IRAK4
SCHEMBL10171468 0.76 IRAK4 (0.55) IRAK4
SCHEMBL19510116 0.74 ADORA3 (0.46) ADORA3ADORA2AADORA1GPR183JAK3
SCHEMBL20941615 0.74 ADORA3 (0.46) ADORA3ADORA2AADORA1GPR183JAK3
SCHEMBL19512608 0.74 ADORA3 (0.46) ADORA3ADORA2AADORA1GPR183JAK3
SCHEMBL12112147 0.74 IRAK4 (0.46) PDE5ACDK1CDK2CCNB1CCNA2

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 ADORA3 3723/4885ADORA2A 3008/4885ADORA1 4194/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN ADORA3 3723/4885ADORA2A 3008/4885ADORA1 4194/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 ADORA3 3029/4885ADORA2A 2362/4885ADORA1 3082/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN ADORA3 3723/4885ADORA2A 3008/4885ADORA1 4194/4885

“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.