SCHEMBL3768520

SCHEMBL3768520

CCOc1cccc(Nc2nccc3[nH]nc(C)c23)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 4/20 0.51
GRM4 Q14833 5/20 0.46
SYK P43405 2/20 0.46
EGFR P00533 2/20 0.43
TTK P33981 2/20 0.41
MAPK8 P45983 1/20 0.41
ERBB2 P04626 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FGFR1 P11362 1/20 0.40
BRD4 O60885 1/20 0.39
CACNA2D1 P54289 1/20 0.39

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
SCHEMBL3764174 0.85 CACNA2D1 (0.46) SYKCACNA2D1
SCHEMBL3771106 0.85 GRM4 (0.48) GRM4SYKEGFRMEN1KMT2A
SCHEMBL3768341 0.83 GRM4 (0.59) GRM4EGFRKMT2A
SCHEMBL3771231 0.81 GRM4 (0.56) GRM4EGFRMEN1KMT2A
SCHEMBL3769390 0.81 EGFR (0.54) GRM4EGFR
SCHEMBL13060929 0.81 GRM4 (0.44) GRM4EGFR
SCHEMBL3771920 0.81 GRM4 (0.56) GRM4EGFRMEN1KMT2AFGFR1
SCHEMBL3775816 0.81 EGFR (0.54) PTK6GRM4SYKEGFRERBB2
SCHEMBL3772621 0.80 GRM4 (0.47) GRM4SYKEGFR
SCHEMBL3774794 0.80 GRM4 (0.50) GRM4EGFRMEN1KMT2A

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 PTK6 527/4885GRM4 1109/4885SYK 2282/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 PTK6 511/4885GRM4 1107/4885SYK 2298/4885

“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.