SCHEMBL3774577

SCHEMBL3774577

Cc1ccccc1Nc1nccc2[nH]nc(C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.47
ERBB2 P04626 1/20 0.47
MAPK10 P53779 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
BTK Q06187 2/20 0.41
GRM4 Q14833 1/20 0.40
ADRA2A P08913 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
PABPC1 P11940 1/20 0.38
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNK O75909 1/20 0.37

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
Ammonia Solution, Strong SCHEMBL381919 0.88 MAPT (0.42) LRRK2ERBB2MAPTHPGDKMT2A
SCHEMBL3766773 0.86 EGFR (0.52) LRRK2MAPK10MAPTGRM4GAA
SCHEMBL461867 0.86 LRRK2 (0.64) LRRK2MAPK10MAPTGRM4GAA
SCHEMBL3764074 0.84 MEN1 (0.46) LRRK2MAPK10MAPTKMT2AGAA
SCHEMBL3774654 0.83 GAA (0.44) LRRK2ERBB2KMT2AGAAEGFR
SCHEMBL3774794 0.82 GRM4 (0.50) LRRK2MAPTHPGDKMT2AGRM4
SCHEMBL3774864 0.82 LRRK2 (0.44) LRRK2GRM4ADRA2AADRA2CADRA1D
SCHEMBL3766326 0.82 HTT (0.49) LRRK2MAPK10MAPTHPGDKMT2A
SCHEMBL3775353 0.80 GRM5 (0.43) LRRK2MAPK10HPGDKMT2AGRM4
SCHEMBL3771732 0.80 LRRK2 (0.39) 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 LRRK2 2309/4885ERBB2 419/4885MAPK10 1450/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885ERBB2 390/4885MAPK10 1554/4885

“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.