SCHEMBL3773000

SCHEMBL3773000

Cc1n[nH]c2ccnc(Nc3cccc(-c4nnco4)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.42
GAA P10253 1/20 0.41
GRM4 Q14833 4/20 0.38
CSNK2A2 P19784 1/20 0.34
EGFR P00533 2/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL3769678 0.87 NOTUM (0.43) NOTUM
SCHEMBL3781861 0.81 SYK (0.42) GRM4EGFR
SCHEMBL3777119 0.79 GRM4 (0.39) GRM4EGFR
SCHEMBL3768341 0.78 GRM4 (0.59) GRM4EGFR
SCHEMBL13060929 0.76 GRM4 (0.44) GRM4EGFR
SCHEMBL3775816 0.76 EGFR (0.54) GRM4EGFRPIM1
SCHEMBL3771231 0.76 GRM4 (0.56) GRM4EGFR
SCHEMBL3769390 0.76 EGFR (0.54) GRM4EGFR
SCHEMBL3771920 0.76 GRM4 (0.56) GRM4EGFR
SCHEMBL3768979 0.76 AAK1 (0.41) GRM4EGFRPIM1

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 5 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
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 NOTUM 1496/4885GAA 4537/4885GRM4 1109/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 NOTUM 1584/4885GAA 4532/4885GRM4 1107/4885

“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.