Sugi Predict

Sugi Predict / Compounds / SCHEMBL2605752

SCHEMBL2605752

SCHEMBL2605752

CCc1cc2nccc(CC)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN3B O60391 5/20 0.47
▸ GRIN1 Q05586 5/20 0.47
▸ GRIN2C Q14957 5/20 0.47
▸ ADORA1 P30542 3/20 0.35
▸ TMIGD3 P0DMS9 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ PDE7A Q13946 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SELE P16581 1/20 0.33
▸ VCAM1 P19320 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PDE3B Q13370 1/20 0.33

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
SCHEMBL25883854 0.88 GRIN3B (0.47) GRIN3BGRIN1GRIN2CPDE3BPDE3A
SCHEMBL22862221 0.85 GRIN3B (0.43) GRIN3BGRIN1GRIN2CALDH1A1SMN1; SMN2
SCHEMBL14817495 0.82 GRIN3B (0.42) GRIN3BGRIN1GRIN2CADORA1TMIGD3
SCHEMBL12829069 0.82 GRIN3B (0.47) GRIN3BGRIN1GRIN2CPDE7APDE3B
SCHEMBL23356001 0.78 GRIN3B (0.44) GRIN3BGRIN1GRIN2CALDH1A1PDE3B
SCHEMBL10202331 0.78 PDPK1 (0.49) GRIN3BGRIN1GRIN2CALDH1A1PDE3B
SCHEMBL16190318 0.78 GRIN3B (0.45) GRIN3BGRIN1GRIN2CCYP1A2ALDH1A1
SCHEMBL2605679 0.78 GRIN3B (0.36) GRIN3BGRIN1GRIN2CADORA1SELE
SCHEMBL12806822 0.78 GRIN3B (0.47) GRIN3BGRIN1GRIN2CALDH1A1SMN1; SMN2
SCHEMBL22862186 0.77 GRIN3B (0.62) GRIN3BGRIN1GRIN2CMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 — — US disclosed
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2012-05-03 — — US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 — — US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 — — US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 — — US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 — — 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 (5 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 GRIN3B 3419/4885GRIN1 3361/4885GRIN2C 2520/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 GRIN3B 3419/4885GRIN1 3361/4885GRIN2C 2520/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET GRIN3B 2539/4885GRIN1 2656/4885GRIN2C 3308/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET GRIN3B 2539/4885GRIN1 2656/4885GRIN2C 3308/4885
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET GRIN3B 2539/4885GRIN1 2656/4885GRIN2C 3308/4885

“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.