SCHEMBL9609613

SCHEMBL9609613

CC(C)(C)c1cnc2c(NC3CC3)cccn12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.39
MAPK9 P45984 5/20 0.37
NR3C2 P08235 1/20 0.37
TTK P33981 1/20 0.36
IDO1 P14902 1/20 0.35
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
GRM2 Q14416 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
TYK2 P29597 1/20 0.32
MAPK8 P45983 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL15061727 0.81 TTK (0.38) MAPK9TTKIDO1ROCK2ROCK1
SCHEMBL15088572 0.78 TTK (0.36) MAPK9TTKIDO1ROCK2ROCK1
SCHEMBL9610920 0.77 GRM2 (0.41) MAPK9TTKIDO1ROCK2ROCK1
SCHEMBL9609612 0.75 NR3C2 (0.38) SSTR4NR3C2IRAK4TYK2
SCHEMBL22243571 0.73 SSTR4 (0.41) SSTR4NR3C2
SCHEMBL22256518 0.72 MAPK1 (0.46) MAPK9GRM2MAPK8PIM1PIM2
SCHEMBL25495621 0.72 KDM4E (0.49) SSTR4NR3C2
SCHEMBL26476527 0.71 ADORA3 (0.42) MAPK9IDO1ROCK2ROCK1MAPK8
SCHEMBL12852023 0.66 SMN1; SMN2 (0.31)
SCHEMBL26422848 0.64 LMNA (0.50) IDO1ROCK2ROCK1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231588-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2020-07-23 US disclosed
US-20200123165-A1 KINASE INHIBITORS INSILICO MEDICINE LTD. (CN) 2020-04-23 US disclosed
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2019-01-31 US disclosed
US-20160368917-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMA INC (US) 2016-12-22 US disclosed
US-9278971-B2 Substituted acetylenic pyrazolo[1,5-a]pyrimidines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-08 US disclosed
US-9029533-B2 Substituted acetylenic imidazo[1,2-A]pyridazines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases ARIAD PHARMACEUTICALS, INC. 2015-04-16 US disclosed
US-20140288082-A1 Bicyclic Heteroaryl Compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2014-09-25 US disclosed
US-8778942-B2 Substituted acetylenic imidazo[1,2-A]pyrazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
US-20130231337-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-20130196979-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
US-8470851-B2 Substituted acetylenic imidazo[1,2-A]pyridine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
US-20120135986-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-05-31 US disclosed
US-8114874-B2 Substituted acetylenic imidazo[1,2-B]pyridazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 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 (12 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-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease PARK7, SNCA, HTT SSTR4 3781/4885MAPK9 2874/4885NR3C2 2440/4885
US-20160368917-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 SSTR4 1933/4885MAPK9 4710/4885NR3C2 121/4885
US-20130196979-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 SSTR4 1933/4885MAPK9 4710/4885NR3C2 121/4885
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 SSTR4 4403/4885MAPK9 28/4885NR3C2 3366/4885
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS SSTR4 4845/4885MAPK9 65/4885NR3C2 1068/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 SSTR4 1933/4885MAPK9 4710/4885NR3C2 121/4885
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES HTT, MAPT, SNCA SSTR4 4249/4885MAPK9 3005/4885NR3C2 2253/4885
US-20200231588-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 SSTR4 1933/4885MAPK9 4710/4885NR3C2 121/4885
US-20140288082-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 SSTR4 1933/4885MAPK9 4710/4885NR3C2 121/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 SSTR4 1933/4885MAPK9 4710/4885NR3C2 121/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 SSTR4 1933/4885MAPK9 4710/4885NR3C2 121/4885
US-20200123165-A1 KINASE INHIBITORS DDR1, DDR2, DDRGK1 SSTR4 1816/4885MAPK9 154/4885NR3C2 1361/4885

“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.