SCHEMBL2756789

SCHEMBL2756789

Cc1ccc2c(c1)Nc1ncc(C)cc1NC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 3/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
GAA P10253 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 1/20 0.54
MCL1 Q07820 1/20 0.54
CSNK1G1 Q9HCP0 1/20 0.49
CDK5 Q00535 2/20 0.44
ROS1 P08922 1/20 0.44
ACVR1 Q04771 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CDK2 P24941 3/20 0.42
GSK3B P49841 3/20 0.42
CDC7 O00311 2/20 0.42
ROCK2 O75116 2/20 0.42
MAP4K4 O95819 2/20 0.42

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
SCHEMBL9824523 0.82 CYP1A2 (0.70) ALDH1A1CYP1A2MAPTSMN1; SMN2NPC1
SCHEMBL13070648 0.81 CYP1A2 (0.44) ALDH1A1CYP1A2MAPTSMN1; SMN2NPC1
SCHEMBL14985677 0.76 CSNK1G1 (0.77) ALDH1A1CYP1A2MAPTSMN1; SMN2NPC1
SCHEMBL2707978 0.75 HPGD (0.37) ALDH1A1CYP1A2MAPTSMN1; SMN2NPC1
SCHEMBL4192180 0.74 CES1 (0.62) ALDH1A1CYP1A2MAPTSMN1; SMN2NPC1
SCHEMBL30398896 0.74 CES1 (0.62) ALDH1A1CYP1A2MAPTSMN1; SMN2NPC1
SCHEMBL18831115 0.72 CSNK1G1 (0.51) ALDH1A1CYP1A2MAPTSMN1; SMN2NPC1
SCHEMBL16946150 0.70 MAP3K11 (0.38) ALDH1A1CYP1A2MAPTSMN1; SMN2NPC1
SCHEMBL2507584 0.70 MAPT (0.70) ALDH1A1CYP1A2MAPTSMN1; SMN2NPC1
SCHEMBL13534020 0.69 CSNK1G1 (0.49) ALDH1A1CYP1A2MAPTSMN1; SMN2NPC1

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 ALDH1A1 3957/4885CYP1A2 3826/4885MAPT 2923/4885

“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.