SCHEMBL20089646

SCHEMBL20089646

CCC(C)(CC)c1cnc(C)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VRK1 Q99986 1/20 0.32
ALOX5AP P20292 1/20 0.30
PDE2A O00408 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
SCHEMBL20089643 0.82 CYP2A6 (0.34)
SCHEMBL20115965 0.81 ALOX5AP (0.30) ALOX5APPDE2A
SCHEMBL12169540 0.80 ALOX5AP (0.40) VRK1ALOX5AP
SCHEMBL26329520 0.77 PIK3CA (0.35) VRK1ALOX5APPDE2A
SCHEMBL7940202 0.76 AGBL2 (0.43) VRK1PDE2A
SCHEMBL20095651 0.76 PDE2A (0.33) ALOX5APPDE2A
SCHEMBL18649026 0.76 RIPK1 (0.40) PDE2A
SCHEMBL19497736 0.76 HDAC1 (0.33) PDE2A
SCHEMBL19833099 0.74 ESR1 (0.31) PDE2A
SCHEMBL26340897 0.73 VRK1 (0.37) VRK1

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-20180111931-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-04-26 US disclosed
US-20180111931-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-04-26 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-20180111931-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 VRK1 3618/4885ALOX5AP 2336/4885PDE2A 1993/4885

“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.