SCHEMBL10171297

SCHEMBL10171297

c1cc(Cc2ccc(Nc3nc(NC4CC5CCC4C5)c4nc[nH]c4n3)cc2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.53
ADORA1 P30542 4/20 0.53
ADORA2A P29274 2/20 0.53
GPR183 P32249 1/20 0.53
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
RET P07949 1/20 0.36
BRS3 P32247 3/20 0.36
HRH4 Q9H3N8 4/20 0.35
GBA1 P04062 1/20 0.35
HRH2 P25021 1/20 0.35
GABBR2 O75899 2/20 0.33
GABBR1 Q9UBS5 2/20 0.33

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
SCHEMBL10171934 0.80 ADORA3 (0.64) ADORA3ADORA1ADORA2AGPR183JAK2
SCHEMBL21601566 0.79 ADORA3 (0.63) ADORA3ADORA1ADORA2AGPR183JAK2
SCHEMBL10171497 0.79 ADORA3 (0.52) ADORA3ADORA1ADORA2AGPR183JAK2
SCHEMBL10171219 0.77 ADORA3 (0.57) ADORA3ADORA1ADORA2AGPR183JAK2
SCHEMBL10171936 0.75 ADORA3 (0.55) ADORA3ADORA1ADORA2AGPR183
SCHEMBL13301199 0.74 IRAK4 (0.51) ADORA3ADORA1ADORA2AJAK2KDR
SCHEMBL10171253 0.74 ADORA3 (0.53) ADORA3ADORA1ADORA2AGPR183
SCHEMBL10171484 0.74 IRAK4 (0.47) KDRAURKB
SCHEMBL10172039 0.74 IRAK4 (0.47) KDRAURKB
SCHEMBL10171965 0.73 ADORA3 (0.52) ADORA3ADORA1ADORA2AGPR183JAK2

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

“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.