SCHEMBL3775882

SCHEMBL3775882

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.59
EGFR P00533 4/20 0.57
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
PTK6 Q13882 1/20 0.48
MEN1 O00255 1/20 0.48
GMNN O75496 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
UGT1A1 P22309 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
PMP22 Q01453 1/20 0.48
DHODH Q02127 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3770143 0.85 DHODH (0.53) GRM4DHODHFADS1
SCHEMBL3771920 0.84 GRM4 (0.56) GRM4EGFRLMNAMEN1NFKB1
SCHEMBL3768341 0.84 GRM4 (0.59) GRM4EGFRCYP3A4CYP2C9KMT2A
SCHEMBL3771231 0.81 GRM4 (0.56) GRM4EGFRMEN1KMT2AFADS1
SCHEMBL3769390 0.81 EGFR (0.54) GRM4EGFRFADS1AURKA
SCHEMBL3775816 0.81 EGFR (0.54) GRM4EGFRPOLBPTK6AURKA
SCHEMBL13060929 0.81 GRM4 (0.44) GRM4EGFRFADS1
SCHEMBL3774794 0.81 GRM4 (0.50) GRM4EGFRMEN1CYP1A2CYP3A4
SCHEMBL381918 0.80 GRM4 (0.43) GRM4EGFRKDRABCG2
SCHEMBL3772621 0.79 GRM4 (0.47) GRM4EGFRKDRAURKAABCG2

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 106/4885LMNA 2925/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 GRM4 1107/4885EGFR 102/4885LMNA 2870/4885

“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.