SCHEMBL21450013

SCHEMBL21450013

C#Cc1ccc(N2C[C@@H]3C2CN3C2COC2)nc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.31
MAP3K12 Q12852 1/20 0.30

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
SCHEMBL21012792 1.00 GRM5 (0.31) GRM5MAP3K12
SCHEMBL21012853 1.00 GRM5 (0.31) GRM5MAP3K12
SCHEMBL20468899 1.00 GRM5 (0.31) GRM5MAP3K12
SCHEMBL20469173 1.00 GRM5 (0.31) GRM5MAP3K12
SCHEMBL21012906 0.83
SCHEMBL24018537 0.81 MAP3K12 (0.36) GRM5MAP3K12
SCHEMBL20492013 0.81 MAP3K12 (0.44) MAP3K12
SCHEMBL20491917 0.81 MAP3K12 (0.44) MAP3K12
SCHEMBL23253277 0.80 MAP3K12 (0.32) MAP3K12
SCHEMBL21450012 0.80 HCRTR1 (0.35) MAP3K12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027055-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 US disclosed
US-11078208-B1 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2021-08-03 US disclosed
US-10752636-B2 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2020-08-25 US disclosed
US-20190308983-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-10 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 (4 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-20230027055-A1 HIV INHIBITOR COMPOUNDS NFATC1, SAMHD1, CCR5 GRM5 4058/4885MAP3K12 168/4885
US-11078208-B1 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 GRM5 4058/4885MAP3K12 168/4885
US-10752636-B2 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 GRM5 4058/4885MAP3K12 168/4885
US-20190308983-A1 HIV INHIBITOR COMPOUNDS HASPIN, NFATC1, NHERF1 GRM5 3517/4885MAP3K12 405/4885

“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.