SCHEMBL20852712

SCHEMBL20852712

CCCC(C)(CCC)c1ccnc(C)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.33
▸ PDK2 Q15119 3/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ AAK1 Q2M2I8 2/20 0.31
▸ PDK4 Q16654 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ AR P10275 1/20 0.31
▸ SREBF2 Q12772 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
SCHEMBL26850422 0.91 KCNH2 (0.34) KDM4E
SCHEMBL21719187 0.82 KCNH2 (0.32) KDM4E
SCHEMBL18948756 0.76 — —
SCHEMBL18948790 0.76 — —
SCHEMBL803084 0.76 SYK (0.39) GRM4AAK1KDM4ELMNATSHR
SCHEMBL18366965 0.74 GRM4 (0.32) NOS2GRM4AAK1KDM4ELMNA
SCHEMBL18612886 0.74 UHRF1 (0.42) NOS2KDM4ELMNAARSREBF2
SCHEMBL18431417 0.73 TLR8 (0.43) —
SCHEMBL20909663 0.72 GRM4 (0.35) GRM4AAK1KDM4ELMNA
SCHEMBL28203328 0.72 HCRTR1 (0.35) GRM4AAK1KDM4ELMNACYP3A4

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-11242319-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2022-02-08 — — US disclosed
US-20190092729-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2019-03-28 — — 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-11242319-B2 Immunoregulatory agents IDO1, IDO2, INMT NOS2 89/4885PDK2 1135/4885ESR1 3892/4885
US-20190092729-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT NOS2 89/4885PDK2 1135/4885ESR1 3892/4885

“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.

Send feedback