SCHEMBL370217

SCHEMBL370217

c1cc(Cc2ccc(Nc3nc4ncnc-4c(NC4CC5CCC4C5)[nH]3)cc2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
GPR183 P32249 1/20 0.34
HRH4 Q9H3N8 4/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
BRS3 P32247 3/20 0.33
GLA P06280 1/20 0.32
GBA1 P04062 1/20 0.31
LTA4H P09960 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
RET P07949 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL351023 0.81 ADORA3 (0.45) ADORA3ADORA2AADORA1GPR183HRH4
SCHEMBL352799 0.78 JAK2 (0.39) ADORA3ADORA2AADORA1GPR183HRH4
SCHEMBL351556 0.78 ADORA2A (0.37) ADORA3ADORA2AADORA1GPR183JAK2
SCHEMBL352615 0.76 PDE9A (0.40) ADORA3ADORA2AADORA1GPR183
SCHEMBL350889 0.75 IRAK4 (0.41)
SCHEMBL350890 0.75 IRAK4 (0.41)
SCHEMBL350165 0.74 TNNI3K (0.38) ADORA3ADORA2AADORA1GPR183JAK2
SCHEMBL351991 0.74 ALDH1A1 (0.35) ADORA3ADORA2AADORA1GPR183JAK2
SCHEMBL4412660 0.74 ALDH1A1 (0.37) HPGDMAPK1
SCHEMBL10171297 0.70 ADORA3 (0.53) ADORA3ADORA2AADORA1GPR183HRH4

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 10 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
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.