SCHEMBL351023

SCHEMBL351023

c1nc2nc(Nc3ccc(N4CCCCC4)cc3)[nH]c(NC3CC4CCC3C4)c-2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
HRH4 Q9H3N8 6/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDK4 P11802 3/20 0.36
CDK6 Q00534 1/20 0.36
AURKA O14965 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
GPR183 P32249 1/20 0.35
AXL P30530 3/20 0.34
KDR P35968 3/20 0.34
SYK P43405 3/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 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
SCHEMBL370217 0.81 ADORA3 (0.34) ADORA3ADORA2AADORA1HRH4MAPK1
SCHEMBL350535 0.80 SYK (0.41) GAAMAPTXBP1MAPK1HTT
SCHEMBL352799 0.79 JAK2 (0.39) ADORA3ADORA2AADORA1HRH4MAPT
SCHEMBL351556 0.79 ADORA2A (0.37) ADORA3ADORA2AADORA1MAPK1HTT
SCHEMBL352615 0.76 PDE9A (0.40) ADORA3ADORA2AADORA1MAPTHTT
SCHEMBL350165 0.75 TNNI3K (0.38) ADORA3ADORA2AADORA1CDK6GPR183
SCHEMBL1305373 0.74 INSR (0.43)
SCHEMBL351991 0.74 ALDH1A1 (0.35) ADORA3ADORA2AADORA1GPR183SYK
SCHEMBL4414871 0.74 MAPT (0.45) GAAMAPTXBP1MAPK1HTT
SCHEMBL351077 0.74 SYK (0.42) KDRSYKJAK2

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 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.