SCHEMBL19726599

SCHEMBL19726599

Cc1c(-c2ccncc2)cccc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
LRRK2 Q5S007 2/20 0.39
PIK3CD O00329 1/20 0.39
CA2 P00918 1/20 0.38
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NOTUM Q6P988 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
EPHX1 P07099 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33
PRKCI P41743 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL19732322 0.83 FYN (0.38) KIF11LRRK2
SCHEMBL8679577 0.82 PDCD1 (0.50) KIF11CA2PARP10PARP11GABRA1
SCHEMBL9261823 0.82 KIF11 (0.47) KIF11PIK3CDCA2LMNAMAPT
SCHEMBL19726596 0.81 CA2 (0.38) KIF11CA2GABRA1GABRB2NOTUM
SCHEMBL19726603 0.81 KIF11 (0.49) KIF11PARP10PARP11LMNAMAPT
SCHEMBL13000747 0.76 ALDH1A1 (0.44) LRRK2PIK3CDPARP10PARP11LMNA
SCHEMBL21742828 0.76 NOTUM (0.58) PIK3CDLMNAMAPTNOTUMPDCD1
SCHEMBL17194977 0.76 P2RX7 (0.38) CA2GABRA1GABRB2ALDH1A1
SCHEMBL17194969 0.76 CA2 (0.39) CA2GABRA1GABRB2LMNANOTUM
SCHEMBL19726594 0.74 AKT1 (0.43) LRRK2CA2GABRA1GABRB2LMNA

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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS KIF11 3487/4885LRRK2 4599/4885PIK3CD 1172/4885

“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.