SCHEMBL461867

SCHEMBL461867

Cc1n[nH]c2ccnc(Nc3ccccc3F)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.64
GRM4 Q14833 4/20 0.43
CDK4 P11802 1/20 0.43
CDK2 P24941 1/20 0.43
PTK2 Q05397 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MAPK10 P53779 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EGFR P00533 1/20 0.38
AURKA O14965 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
EP300 Q09472 1/20 0.37
CREBBP Q92793 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
SCHEMBL3774577 0.86 LRRK2 (0.47) LRRK2GRM4CDK2MAPTMAPK10
SCHEMBL3775900 0.85 GRM4 (0.48) LRRK2GRM4CDK2KDR
SCHEMBL3766773 0.84 EGFR (0.52) LRRK2GRM4CDK2MAPTMAPK10
SCHEMBL3764074 0.82 MEN1 (0.46) LRRK2MAPTHTTMAPK10ALDH1A1
SCHEMBL3774654 0.81 GAA (0.44) LRRK2GAAEGFR
SCHEMBL3774794 0.80 GRM4 (0.50) LRRK2GRM4CDK4CDK2MAPT
Ammonia Solution, Strong SCHEMBL381919 0.80 MAPT (0.42) LRRK2MAPTALDH1A1KDM4EGAA
SCHEMBL3774864 0.80 LRRK2 (0.44) LRRK2GRM4PTK2GAA
SCHEMBL3766326 0.80 HTT (0.49) LRRK2MAPTHTTMAPK10ALDH1A1
SCHEMBL3775353 0.78 GRM5 (0.43) LRRK2GRM4CDK4CDK2MAPK10

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 11 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
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
EP-2408772-A1 COMPOUNDS Medical Research Council Technology (GB) 2012-01-25 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
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 WO disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 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 (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 2309/4885GRM4 1109/4885CDK4 1252/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885GRM4 1107/4885CDK4 1233/4885

“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.