SCHEMBL8348438

SCHEMBL8348438

CCc1ccc2c(C)n[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
FGFR1 P11362 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
DAO P14920 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
PTK2B Q14289 1/20 0.39
GSK3B P49841 2/20 0.38
MAP2K4 P45985 2/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 1/20 0.37
PTGES O14684 1/20 0.36

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
SCHEMBL91441 0.85 NTRK1 (0.43) KIF11FGFR1ADORA2AADORA2BALDH1A1
SCHEMBL7220524 0.84 GAA (0.43) FGFR1ADORA2AADORA2BGAAGSK3B
SCHEMBL10189221 0.81 KIF11 (0.47) KIF11FGFR1DAOALDH1A1GAA
SCHEMBL91579 0.81 PDPK1 (0.55) KIF11FGFR1ALDH1A1GAAHPGD
SCHEMBL11976879 0.78 KDM4E (0.50) ALDH1A1GAAHPGDMEN1LMNA
SCHEMBL24991934 0.77 KIF11 (0.44) KIF11FGFR1DAOALDH1A1GAA
SCHEMBL12388929 0.77 GSK3B (0.50) KIF11FGFR1GSK3BMAP2K4DYRK1A
SCHEMBL31552439 0.76 ITK (0.53) KIF11ADORA2AADORA2BMAP2K4CYP1A2
SCHEMBL12247 0.76 ITK (0.53) KIF11ADORA2AADORA2BMAP2K4CYP1A2
SCHEMBL13554365 0.76 KIF11 (0.42) KIF11FGFR1ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020063760-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-04-02 WO disclosed
EP-3154973-B1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2018-03-21 EP disclosed
US-8354526-B2 Pyrido [4, 3-D] pyrimidinone derivatives as kinase inhibitors IRM LLC (BM) 2013-01-15 US disclosed
US-20110003790-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-7705004-B2 Protein kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20090054425-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO 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 (3 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-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 KIF11 310/4885FGFR1 1797/4885ADORA2A 2351/4885
US-20110003790-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS ZAP70, FLT3, LCK KIF11 3060/4885FGFR1 201/4885ADORA2A 1641/4885
US-20090054425-A1 PROTEIN KINASE INHIBITORS SYK, JAK2, BTK KIF11 2625/4885FGFR1 938/4885ADORA2A 2705/4885

“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.