SCHEMBL18307263

SCHEMBL18307263

CC(C)c1nc2ccccc2c2ccc(C(C)(C)C)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.41
KIF11 P52732 2/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
GPR3 P46089 1/20 0.40
CYP1A2 P05177 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
CHUK O15111 1/20 0.36
PDPK1 O15530 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
CHEK2 O96017 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL20855331 0.80 GPR3 (0.54) GPR3CYP1A2TP53SMN1; SMN2RAB9A
SCHEMBL30277502 0.80 GPR3 (0.54) GPR3CYP1A2TP53SMN1; SMN2RAB9A
SCHEMBL30277347 0.80 MAOA (0.49) GPR3CYP1A2AURKAAURKBRAB9A
SCHEMBL15423522 0.80 KDM1A (0.45) KIF11GPR3CYP1A2SMN1; SMN2RAB9A
SCHEMBL28348880 0.76 GPR3 (0.61) ABCG2KIF11TNKSTNKS2GPR3
SCHEMBL19447775 0.76 CYP1A2 (0.47) KIF11GPR3CYP1A2TP53SMN1; SMN2
SCHEMBL28384010 0.74 KIF11 (0.59) ABCG2KIF11PLK4CHEK1AURKA
SCHEMBL1205626 0.73 HPRT1 (0.56) KIF11CYP1A2ALDH1A1RCE1MAPT
SCHEMBL21341408 0.72 ADORA2A (0.46) TP53CDK1CDK2L3MBTL1ALDH1A1
SCHEMBL38661942 0.72 GPR3 (0.54) ABCG2KIF11TNKSTNKS2GPR3

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-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 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-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ABCG2 87/4885KIF11 3550/4885TNKS 4225/4885

“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.