SCHEMBL3768977

SCHEMBL3768977

Cc1n[nH]c2ccnc(Nc3cccc(S(C)(=O)=O)c3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.48
ROCK1 Q13464 1/20 0.48
EPHB4 P54760 3/20 0.45
CSNK2A1 P68400 1/20 0.44
TNNI3K Q59H18 5/20 0.43
BRAF P15056 4/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
SYK P43405 2/20 0.42
AURKA O14965 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK8 P45983 1/20 0.41

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
SCHEMBL3775613 0.86 EPHB4 (0.45) LRRK2ROCK1EPHB4BRAFJAK1
SCHEMBL3768601 0.85 PIP4K2C (0.50) LRRK2JAK1JAK3MAPK8MAPK9
SCHEMBL3768341 0.83 GRM4 (0.59) LRRK2AURKAABL1GRM4
SCHEMBL13060929 0.81 GRM4 (0.44) LRRK2ABL1GRM4
SCHEMBL3775816 0.81 EGFR (0.54) CSNK2A1SYKAURKAMAP4K4ABL1
SCHEMBL3771920 0.81 GRM4 (0.56) ABL1LCKPDGFRBFGFR1FLT1
SCHEMBL3769390 0.81 EGFR (0.54) AURKAABL1AURKBGRM4
SCHEMBL3771231 0.81 GRM4 (0.56) ABL1PDGFRBGRM4
SCHEMBL3774794 0.80 GRM4 (0.50) LRRK2ABL1GRM4
SCHEMBL3781873 0.79 ABCG2 (0.47) LRRK2SYKAURKAFGFR1MAPK8

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-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (2 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2309/4885ROCK1 2568/4885EPHB4 1921/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885ROCK1 2583/4885EPHB4 1863/4885

“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.