SCHEMBL2707978

SCHEMBL2707978

CC(C)c1ccc2c(c1)Nc1ncc(C(C)C)cc1NC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDK2 P24941 6/20 0.36
GSK3B P49841 6/20 0.36
MAP4K4 O95819 5/20 0.36
CLK4 Q9HAZ1 5/20 0.36
CDC7 O00311 4/20 0.36
ROCK2 O75116 4/20 0.36
IRAK4 Q9NWZ3 4/20 0.36
MKNK2 Q9HBH9 2/20 0.36
CYP1A2 P05177 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
IGF1R P08069 1/20 0.35
PDGFRB P09619 1/20 0.35
GLB1 P16278 1/20 0.35
CTRC Q99895 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL2756587 0.81 PSEN1 (0.39) CDK2GSK3BMAP4K4CLK4CDC7
SCHEMBL2707211 0.81 PSEN1 (0.41) CYP1A2SMN1; SMN2EGFRERBB2IGF1R
SCHEMBL2705692 0.79 CSNK1G1 (0.49) HPGDGFERHSD17B10CDK2GSK3B
SCHEMBL22961903 0.75 HPGD (0.44) HPGDGFERHSD17B10SMN1; SMN2EGFR
SCHEMBL8714236 0.75 CES1 (0.55) HPGDGFERHSD17B10EGFRERBB2
SCHEMBL2756789 0.75 ALDH1A1 (0.54) HPGDHSD17B10CDK2GSK3BMAP4K4
SCHEMBL18801441 0.73 MAP3K11 (0.36) SMN1; SMN2ALDH1A1MAPTLMNAFGFR1
SCHEMBL2756590 0.72 CSNK1G1 (0.61) HPGDGFERHSD17B10CDK2GSK3B
SCHEMBL9980151 0.72 CSNK1G1 (0.61) HPGDGFERHSD17B10CDK2GSK3B
SCHEMBL12120558 0.72 HPGD (0.42) HPGDGFERHSD17B10EGFRERBB2

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-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGD 3745/4885GFER 4808/4885HSD17B10 3314/4885

“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.