SCHEMBL10171965

SCHEMBL10171965

CC(C)Oc1cccc(Nc2nc(NC3CC4CCC3C4)c3nc[nH]c3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.52
ADORA1 P30542 3/20 0.52
ADORA2A P29274 2/20 0.52
GPR183 P32249 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.39
BRD4 O60885 2/20 0.38
SYK P43405 2/20 0.38
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
LRRK2 Q5S007 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL10171936 0.90 ADORA3 (0.55) ADORA3ADORA1ADORA2AGPR183IRAK4
SCHEMBL10171219 0.86 ADORA3 (0.57) ADORA3ADORA1ADORA2AGPR183IRAK4
SCHEMBL10171253 0.80 ADORA3 (0.53) ADORA3ADORA1ADORA2AGPR183IRAK4
SCHEMBL10171497 0.78 ADORA3 (0.52) ADORA3ADORA1ADORA2AGPR183IRAK4
SCHEMBL10171448 0.76 IRAK4 (0.54) IRAK4
SCHEMBL12112064 0.75 IRAK4 (0.44) IRAK4SYK
SCHEMBL4769150 0.74 ADORA3 (0.46) ADORA3ADORA1ADORA2AGPR183KDR
SCHEMBL10171297 0.73 ADORA3 (0.53) ADORA3ADORA1ADORA2AGPR183KDR
SCHEMBL10171934 0.73 ADORA3 (0.64) ADORA3ADORA1ADORA2AGPR183SYK
SCHEMBL21601566 0.73 ADORA3 (0.63) ADORA3ADORA1ADORA2AGPR183SYK

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 3723/4885ADORA1 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.