SCHEMBL18924370

SCHEMBL18924370

CC(C)Cn1cc(CC(C)(C)C)cn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
PDK2 Q15119 2/20 0.35
NAMPT P43490 1/20 0.33
KDM5B Q9UGL1 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
MAPK1 P28482 1/20 0.32
ESR1 P03372 1/20 0.31
KDM5A P29375 1/20 0.30
SYK P43405 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
SCHEMBL19821647 0.83 NAMPT (0.38) ACHENAMPTKDM5BPRMT5WDR77
SCHEMBL11968682 0.79 ACHE (0.47) ACHEPDK2NAMPTKDM5BPRMT5
SCHEMBL18858532 0.79 ACHE (0.47) ACHEPDK2NAMPTKDM5BPRMT5
SCHEMBL12092593 0.79 MAPT (0.37) ACHEESR1
SCHEMBL15978917 0.79 PDK2 (0.35) PDK2ESR1
SCHEMBL2410092 0.78 ACHE (0.46) ACHEPDK2NAMPTKDM5BPRMT5
SCHEMBL12776229 0.76 L3MBTL1 (0.50) NAMPTKDM5BPRMT5WDR77MAPK1
SCHEMBL21502004 0.76 ACHE (0.45) ACHEPDK2NAMPTKDM5BPRMT5
SCHEMBL23139159 0.75 ACHE (0.44) ACHEPDK2NAMPTKDM5BPRMT5
SCHEMBL10203202 0.74 ACHE (0.49) ACHEPDK2NAMPTKDM5BPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189826-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-29 US disclosed
US-20180051013-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-22 US disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 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-10189826-B2 Heterocyclic compounds and methods of use HRAS, VHL, ESRRB ACHE 4862/4885PDK2 98/4885NAMPT 596/4885
US-20180051013-A1 Heterocyclic Compounds and Methods of Use HRAS, VHL, ESRRB ACHE 4862/4885PDK2 98/4885NAMPT 596/4885

“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.