SCHEMBL2288043

SCHEMBL2288043

CCC(CC)n1cnc2ccc(C(C)C)nc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DHFR P00374 2/20 0.33
PDE2A O00408 4/20 0.32
PDE10A Q9Y233 4/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
HCAR3 P49019 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NTRK1 P04629 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
SCHEMBL17807786 0.83 CDK1 (0.40) MEN1HPGDKMT2AHSD17B10PDE2A
SCHEMBL22419368 0.79 SRC (0.40) MEN1KMT2APDE2APDE10AADORA2A
SCHEMBL20251353 0.75 DYRK1A (0.47) MEN1HPGDKMT2AHSD17B10PDE2A
SCHEMBL25465464 0.71 PDE2A (0.36) MEN1HPGDKMT2APDE2APDE10A
SCHEMBL4111036 0.71 PDE2A (0.38) DHFRPDE2APDE10A
SCHEMBL18898676 0.70 HCAR3 (0.36) MEN1HPGDKMT2AHSD17B10HCAR3
SCHEMBL4194084 0.70 CCNA2 (0.32) ADORA2AADORA2BADORA1
SCHEMBL21311363 0.70 KDM4E (0.42) HPGDHSD17B10DHFRADORA2AADORA2B
SCHEMBL20251105 0.69 CDK1 (0.39) ADORA2AADORA2BADORA1HCAR3KDM4E
SCHEMBL18250295 0.69 MEN1 (0.40) MEN1HPGDKMT2AHSD17B10DHFR

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-7998976-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2011-08-16 US disclosed
US-20090247571-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INCORPORATED 2009-10-01 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-20090247571-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 MEN1 3402/4885HPGD 2803/4885KMT2A 4284/4885

“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.