SCHEMBL3768341

SCHEMBL3768341

Cc1cccc(Nc2nccc3[nH]nc(C)c23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.59
EGFR P00533 4/20 0.52
ABL1 P00519 2/20 0.52
ABL2 P42684 1/20 0.52
SRC P12931 1/20 0.47
PRKCA P17252 1/20 0.47
KMT2A Q03164 1/20 0.46
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
STAT1 P42224 1/20 0.45
FADS1 O60427 1/20 0.45
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LRRK2 Q5S007 2/20 0.43
HIF1A Q16665 1/20 0.42

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
SCHEMBL13060929 0.87 GRM4 (0.44) GRM4EGFRABL1ABL2FADS1
SCHEMBL3771920 0.87 GRM4 (0.56) GRM4EGFRABL1ABL2SRC
SCHEMBL3771231 0.87 GRM4 (0.56) GRM4EGFRABL1ABL2SRC
SCHEMBL3769390 0.87 EGFR (0.54) GRM4EGFRABL1ABL2PRKCA
SCHEMBL3775816 0.87 EGFR (0.54) GRM4EGFRABL1SRCPRKCA
SCHEMBL3774794 0.86 GRM4 (0.50) GRM4EGFRABL1ABL2SRC
SCHEMBL381918 0.85 GRM4 (0.43) GRM4EGFRABL1ABL2PRKCA
SCHEMBL3775882 0.84 GRM4 (0.59) GRM4EGFRKMT2AFADS1HIF1A
SCHEMBL3772621 0.84 GRM4 (0.47) GRM4EGFRAURKA
SCHEMBL3780537 0.84 EGFR (0.57) GRM4EGFRKMT2ALRRK2

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 6 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
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.