SCHEMBL24721285

SCHEMBL24721285

COC1CCN(c2ccc(-c3cccc(SC)c3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.44
▸ RET P07949 5/20 0.43
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE10A Q9Y233 4/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ ADORA2A P29274 2/20 0.37
▸ SCD O00767 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ DGAT1 O75907 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL23601163 0.84 CNR2 (0.46) CNR2RETPDE10AMAP4K4LRRK2
SCHEMBL24721010 0.81 PSEN1 (0.44) CNR2RETPDE10AMAP4K4
SCHEMBL24721149 0.77 WNT3A (0.55) CNR2RETPDE4APDE4BPDE4D
SCHEMBL24721150 0.74 RET (0.54) RETLRRK2
SCHEMBL15034194 0.71 HRH3 (0.55) RETPDE10AMAP4K4
SCHEMBL24721532 0.71 IDO1 (0.47) MAP4K4ADORA2A
SCHEMBL12093610 0.70 HRH3 (0.57) RETMAP4K4
SCHEMBL21588309 0.70 MAP4K4 (0.48) RETPDE10AMAP4K4ACACB
SCHEMBL12236680 0.70 MAP4K4 (0.54) RETMAP4K4
SCHEMBL14694212 0.69 MAP4K4 (0.51) CNR2RETPDE10AMAP4K4ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 — — 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 (1 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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK CNR2 1348/4885RET 1423/4885PDE4A 558/4885

“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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