SCHEMBL351991

SCHEMBL351991

CC(C)Oc1cccc(Nc2nc3ncnc-3c(NC3CC4CCC3C4)[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
LIMK2 P53671 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA2A P29274 1/20 0.34
GPR183 P32249 1/20 0.34
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 1/20 0.33
PDGFRB P09619 3/20 0.32
PDGFRA P16234 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
BRD4 O60885 2/20 0.31
PDE9A O76083 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
BUB1 O43683 1/20 0.31
SYK P43405 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
SCHEMBL352615 0.91 PDE9A (0.40) ALDH1A1POLBADORA3ADORA1ADORA2A
SCHEMBL351556 0.86 ADORA2A (0.37) POLBADORA3ADORA1ADORA2AGPR183
SCHEMBL350165 0.80 TNNI3K (0.38) ADORA3ADORA1ADORA2AGPR183ROCK1
SCHEMBL352799 0.77 JAK2 (0.39) ADORA3ADORA1ADORA2AGPR183JAK2
SCHEMBL4414478 0.76 PLAU (0.39) LIMK2ROCK1L3MBTL1BRD4PDE9A
SCHEMBL351023 0.74 ADORA3 (0.45) ADORA3ADORA1ADORA2AGPR183JAK2
SCHEMBL370217 0.74 ADORA3 (0.34) ADORA3ADORA1ADORA2AGPR183JAK2
SCHEMBL10171965 0.72 ADORA3 (0.52) ALDH1A1POLBADORA3ADORA1ADORA2A
SCHEMBL352724 0.68 SYK (0.37) ROCK2ROCK1PDGFRBPDGFRAIRAK4
SCHEMBL1306599 0.68 ALK (0.49) IRAK4

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 ALDH1A1 4690/4885POLB 3453/4885LIMK2 128/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN ALDH1A1 4690/4885POLB 3453/4885LIMK2 128/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 ALDH1A1 4480/4885POLB 2376/4885LIMK2 187/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN ALDH1A1 4690/4885POLB 3453/4885LIMK2 128/4885

“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.