SCHEMBL19803232

SCHEMBL19803232

CC(C)Cc1c(F)cc(C(C)(C)C)cc1C#N

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
KDM5A P29375 1/20 0.32
HTR1D P28221 1/20 0.32
AR P10275 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 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
SCHEMBL11807089 0.76 ATM (0.33) ACACBKDM5A
SCHEMBL11793334 0.75 ALDH1A1 (0.42) ACACBKDM5A
SCHEMBL20095702 0.74
SCHEMBL19803240 0.73 TRPV4 (0.34) HTR1DAR
SCHEMBL19505052 0.73 TRPV4 (0.34) AR
SCHEMBL16097843 0.72 KIF11 (0.38) ACACBAR
SCHEMBL21910149 0.71 TTR (0.33) KDM5A
SCHEMBL21910189 0.70 MPO (0.37) KDM5A
SCHEMBL25856446 0.70 CYP11B1 (0.32) AR
SCHEMBL12724952 0.68 TRPV4 (0.52) HTR1D

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-20180021316-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-01-25 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-20180021316-A1 CHEMICAL COMPOUNDS MKI67, CCNI, TP53 ACACB 1212/4885KDM5A 1547/4885HTR1D 3131/4885

“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.