SCHEMBL3764047

SCHEMBL3764047

Cc1n[nH]c2ccnc(Nc3cccc(Cn4ccnc4)c3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.48
CYP11B2 P19099 10/20 0.48
ADRA2C P18825 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
GRM4 Q14833 1/20 0.41
CYP19A1 P11511 3/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
TBXAS1 P24557 1/20 0.40
QPCT Q16769 1/20 0.40
CYP4Z1 Q86W10 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
EGFR P00533 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38

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
SCHEMBL3775217 0.89 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL13006158 0.86 CYP11B1 (0.50) CYP11B1CYP11B2ADRA2CJAK2JAK1
SCHEMBL3766209 0.83 JAK2 (0.41) JAK2JAK1GRM4CYP19A1CYP1A2
SCHEMBL3772621 0.81 GRM4 (0.47) JAK2JAK1GRM4EGFR
SCHEMBL3770286 0.80 PLK4 (0.49) JAK2JAK1GRM4EGFR
SCHEMBL13006149 0.78 LRRK2 (0.42) CYP11B1CYP11B2GRM4CYP19A1EGFR
SCHEMBL3768341 0.77 GRM4 (0.59) GRM4CYP3A4EGFR
SCHEMBL3775816 0.75 EGFR (0.54) GRM4POLBEGFR
SCHEMBL3771920 0.75 GRM4 (0.56) GRM4EGFR
SCHEMBL3771231 0.75 GRM4 (0.56) GRM4EGFR

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 3 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-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 CYP11B1 306/4885CYP11B2 322/4885ADRA2C 627/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 CYP11B1 305/4885CYP11B2 317/4885ADRA2C 594/4885

“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.