SCHEMBL3770033

SCHEMBL3770033

Cc1n[nH]c2ccnc(Nc3ccc4cn(C)nc4c3)c12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.42
KDR P35968 6/20 0.41
KIT P10721 5/20 0.41
PDGFRA P16234 5/20 0.41
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NSD2 O96028 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
GRM4 Q14833 6/20 0.39
CYP1A2 P05177 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
SCHEMBL3775905 0.80 LRRK2 (0.46) LRRK2KDM4EALDH1A1MAPTCREBBP
SCHEMBL3771457 0.78 GRM4 (0.62) LRRK2BRD4CREBBPGRM4CYP1A2
SCHEMBL13060922 0.77 MAPT (0.45) LRRK2ALDH1A1MAPTGRM4
SCHEMBL3778709 0.77 KDR (0.47) KDRPDGFRAKDM4EALDH1A1MAPT
SCHEMBL3774841 0.76 KMT2A (0.52) LRRK2KDRKDM4EALDH1A1GRM4
SCHEMBL3774932 0.76 LRRK2 (0.66) LRRK2
SCHEMBL3769990 0.76 LRRK2 (0.42) LRRK2KDRKDM4EALDH1A1MAPT
SCHEMBL3770441 0.76 GRM4 (0.61) LRRK2ALDH1A1MAPTGRM4
SCHEMBL381085 0.76 GRM4 (0.62) LRRK2KDRNOTUMBRD4CREBBP
SCHEMBL3775329 0.75 LRRK2 (0.61) LRRK2KDRMAPTGRM4

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 2309/4885KDR 797/4885KIT 2078/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885KDR 726/4885KIT 2065/4885

“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.