SCHEMBL3768601

SCHEMBL3768601

Cc1n[nH]c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 8/20 0.50
LRRK2 Q5S007 4/20 0.47
PIP4K2A P48426 3/20 0.41
PIP4K2B P78356 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL3768977 0.85 LRRK2 (0.48) LRRK2MAPK8MAPK9GSK3AGSK3B
SCHEMBL3775329 0.84 LRRK2 (0.61) LRRK2GRM4
SCHEMBL3775370 0.81 LRRK2 (0.63) LRRK2CDK2GRM4
SCHEMBL3763899 0.81 GRM4 (0.51) LRRK2CDK2GRM4
SCHEMBL3774794 0.81 GRM4 (0.50) LRRK2CDK4CDK2GRM4
SCHEMBL3780712 0.80 MAPK8 (0.47) LRRK2MAPK8JAK3
SCHEMBL3766435 0.79 ROCK1 (0.44) LRRK2CDK2MAPK8GSK3BKCNH2
SCHEMBL3775613 0.78 EPHB4 (0.45) LRRK2AAK1GRM4JAK1JAK3
SCHEMBL3770143 0.78 DHODH (0.53) LRRK2CDK2GRM4
SCHEMBL3768966 0.78 LRRK2 (0.45) LRRK2GRM4

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 7 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
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 PIP4K2C 3162/4885LRRK2 2309/4885PIP4K2A 3436/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 PIP4K2C 3143/4885LRRK2 2208/4885PIP4K2A 3403/4885

“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.