SCHEMBL3771920

SCHEMBL3771920

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.56
EGFR P00533 2/20 0.54
ABL1 P00519 2/20 0.54
ABL2 P42684 1/20 0.54
FADS1 O60427 2/20 0.53
CDK4 P11802 1/20 0.45
CDK2 P24941 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
LMNA P02545 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAPGEF4 Q8WZA2 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
SCHEMBL3764136 0.88 GRM4 (0.52) GRM4EGFRABL1ABL2FADS1
SCHEMBL3768341 0.87 GRM4 (0.59) GRM4EGFRABL1ABL2FADS1
SCHEMBL3769390 0.85 EGFR (0.54) GRM4EGFRABL1ABL2FADS1
SCHEMBL13060929 0.85 GRM4 (0.44) GRM4EGFRABL1ABL2FADS1
SCHEMBL3775816 0.85 EGFR (0.54) GRM4EGFRABL1CDK4CDK2
SCHEMBL3771231 0.85 GRM4 (0.56) GRM4EGFRABL1ABL2FADS1
SCHEMBL3775882 0.84 GRM4 (0.59) GRM4EGFRFADS1LMNAABCG2
SCHEMBL3763899 0.84 GRM4 (0.51) GRM4EGFRCDK2MAPK1MKNK1
SCHEMBL3774794 0.84 GRM4 (0.50) GRM4EGFRABL1ABL2CDK4
SCHEMBL381918 0.82 GRM4 (0.43) GRM4EGFRABL1ABL2ABCG2

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 1109/4885EGFR 106/4885ABL1 593/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 GRM4 1107/4885EGFR 102/4885ABL1 544/4885

“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.