SCHEMBL3772621

SCHEMBL3772621

Cc1n[nH]c2ccnc(Nc3cccc(CO)c3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.47
SYK P43405 1/20 0.44
EPHB4 P54760 2/20 0.42
MAP2K4 P45985 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CFD P00746 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
JAK1 P23458 3/20 0.39
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
KDR P35968 2/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
EGFR P00533 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38

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
SCHEMBL3775816 0.84 EGFR (0.54) GRM4SYKAURKACFDEGFR
SCHEMBL3768341 0.84 GRM4 (0.59) GRM4AURKAEGFR
SCHEMBL3771920 0.81 GRM4 (0.56) GRM4ABCG2KDRKITPDGFRA
SCHEMBL13060929 0.81 GRM4 (0.44) GRM4EGFR
SCHEMBL3771231 0.81 GRM4 (0.56) GRM4PDGFRAEGFR
SCHEMBL3769390 0.81 EGFR (0.54) GRM4AURKAEGFR
SCHEMBL3770286 0.81 PLK4 (0.49) GRM4SYKJAK1JAK2JAK3
SCHEMBL3764047 0.81 CYP11B1 (0.48) GRM4JAK1JAK2EGFR
SCHEMBL3774794 0.81 GRM4 (0.50) GRM4SGMS2EGFR
SCHEMBL3768520 0.80 PTK6 (0.51) GRM4SYKEGFR

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 GRM4 1109/4885SYK 2282/4885EPHB4 1921/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 GRM4 1107/4885SYK 2298/4885EPHB4 1863/4885

“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.