SCHEMBL381085

SCHEMBL381085

Cc1n[nH]c2ccnc(Nc3ccc4c(cnn4C)c3)c12

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.62
CYP1A2 P05177 2/20 0.62
CDC7 O00311 1/20 0.51
LRRK2 Q5S007 3/20 0.43
SYK P43405 5/20 0.43
TGFBR1 P36897 1/20 0.42
KDR P35968 1/20 0.42
TRPM5 Q9NZQ8 1/20 0.41
NOTUM Q6P988 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40

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
SCHEMBL3771457 0.91 GRM4 (0.62) GRM4CYP1A2CDC7LRRK2SYK
SCHEMBL3773318 0.79 MKNK1 (0.55) SYKKDREGFRERBB2
SCHEMBL13060922 0.77 MAPT (0.45) GRM4LRRK2
SCHEMBL3778709 0.77 KDR (0.47) CYP1A2CDC7SYKKDREGFR
SCHEMBL19801948 0.76 GRM4 (1.00) GRM4CYP1A2
SCHEMBL3774932 0.76 LRRK2 (0.66) LRRK2SYK
SCHEMBL3770441 0.76 GRM4 (0.61) GRM4LRRK2TGFBR1EGFR
SCHEMBL3770033 0.76 LRRK2 (0.42) GRM4CYP1A2LRRK2KDRNOTUM
SCHEMBL3775329 0.75 LRRK2 (0.61) GRM4LRRK2KDREGFR
SCHEMBL13006164 0.75 LRRK2 (0.44) GRM4LRRK2

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 10 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-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 GRM4 1109/4885CYP1A2 613/4885CDC7 1329/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 GRM4 1107/4885CYP1A2 608/4885CDC7 1362/4885

“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.