SCHEMBL3774973

SCHEMBL3774973

Cc1n[nH]c2ccnc(N(C)c3ccco3)c12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.34
TTK P33981 1/20 0.32
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL381537 0.72 LRRK2 (0.49) LRRK2TTKPDE10AMEN1PKM
SCHEMBL3766783 0.71 LRRK2 (0.54) LRRK2MEN1KMT2A
SCHEMBL3769193 0.71 METAP2 (0.43) PKMHSD17B10KDM4E
SCHEMBL3769262 0.70 LRRK2 (0.32) LRRK2PDE3BPDE3A
SCHEMBL3770311 0.69 LRRK2 (0.64) LRRK2MEN1KMT2A
SCHEMBL3774970 0.67 MEN1 (0.60) MEN1PKMKMT2AHSD17B10KDM4E
SCHEMBL379641 0.66 KDR (0.43) HSD17B10
SCHEMBL317827 0.66 KCNA5 (0.36) MEN1KMT2AHSD17B10KDM4ETDP1
SCHEMBL21449726 0.65 NOS2 (0.41) LRRK2KDM4E
SCHEMBL381152 0.65 BRD4 (0.44) LRRK2TTKPDE3BPDE3A

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 3 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
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

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 2309/4885TTK 3319/4885PDE10A 2073/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885TTK 3301/4885PDE10A 2121/4885

“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.