SCHEMBL21784412

SCHEMBL21784412

CCC(CC)c1ccnc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ AAK1 Q2M2I8 2/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 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
SCHEMBL26489338 0.86 TLR8 (0.34) HRH3
SCHEMBL24359772 0.83 GRM4 (0.34) GRM4KDM4ELMNALRRK2AAK1
SCHEMBL23869472 0.78 GPR84 (0.35) KDM4E
SCHEMBL807734 0.76 GRM4 (0.37) GRM4KDM4ELMNAAAK1NOS3
SCHEMBL23206269 0.74 IDH1 (0.36) GRM4KDM4ELMNAAAK1ALDH1A1
SCHEMBL21323650 0.72 GRM4 (0.35) GRM4KDM4ELMNAAAK1ALDH1A1
SCHEMBL31728162 0.72 SORD (0.36) GRM4KDM4ELMNAAAK1ALDH1A1
SCHEMBL22958644 0.72 GRM4 (0.35) GRM4KDM4ELMNAAAK1ALDH1A1
SCHEMBL28402863 0.72 GRM4 (0.35) GRM4KDM4ELMNAAAK1NOS3
SCHEMBL21784476 0.72 ESR1 (0.31) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 — — US disclosed
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2020-03-05 — — 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-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 GRM4 3680/4885HRH3 287/4885KDM4E 2185/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 GRM4 3680/4885HRH3 287/4885KDM4E 2185/4885

“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.

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