SCHEMBL11967045

SCHEMBL11967045

CC(C)c1ccc2c(C(C)C)ccnc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ LTK P29376 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39

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
SCHEMBL12120795 0.85 IRAK4 (0.38) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL25519630 0.81 AURKA (0.49) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL10330490 0.81 ADRA1A (0.51) NR4A2LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL24420728 0.80 NR4A2 (0.58) NR4A2LMNASMN1; SMN2ALDH1A1SOS2
SCHEMBL22648432 0.80 FERMT2 (0.45) CDK5NR4A2HRH4
SCHEMBL12545963 0.80 NR4A2 (0.56) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL28305428 0.80 ALK (0.46) ABL1ACVR1ALKNR4A2LMNA
SCHEMBL20201897 0.80 AURKA (0.38) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL8603000 0.80 TRPA1 (0.44) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL15836948 0.77 HTR1A (0.55) MAP4K4KDRFLT3CLK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 — — US disclosed
WO-2023144379-A1 HIGH-AFFINITY LIGANDS OF FIBROBLAST ACTIVATION PROTEIN FOR TARGETED DELIVERY APPLICATIONS PHILOCHEM AG (CH) 2023-08-03 — — WO disclosed
US-8242150-B2 Triazole derivatives for treating alzheimer'S disease and related conditions MERCK SHARP & DOHME CORP. (US) 2012-08-14 — — US disclosed
US-8242150-B2 Triazole derivatives for treating alzheimer'S disease and related conditions MERCK SHARP & DOHME CORP. (US) 2012-08-14 — — US disclosed
US-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS SCHERING CORPORATION 2010-09-02 — — US disclosed
US-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS SCHERING CORPORATION 2010-09-02 — — 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-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS BACE1, PSEN1, PSEN2 AURKA 3158/4885DAPK3 801/4885JAK2 4338/4885
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, SHBG, NR5A1 AURKA 565/4885DAPK3 1592/4885JAK2 3721/4885

“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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