SCHEMBL4759713

SCHEMBL4759713

CCN(C)c1ccc(C(=O)C2OCc3nc(NC(C)=O)sc3C2=O)cn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
HCAR3 P49019 1/20 0.33
OGA O60502 2/20 0.33
PI4KB Q9UBF8 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
AOC3 Q16853 1/20 0.32
NPC1 O15118 1/20 0.31
STAT1 P42224 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4759717 0.92 HCAR3 (0.33) HCAR3AOC3
SCHEMBL4759715 0.91 PIK3CG (0.39) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL2690998 0.85 LMNA (0.34) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL2690337 0.84 LMNA (0.35) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL2690832 0.83 OGA (0.38) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL12598911 0.82 ALDH1A1 (0.36) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL4759337 0.82 LMNA (0.38) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL2688914 0.82 PIK3CG (0.46) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL2689466 0.79 GPR119 (0.35)
SCHEMBL2692071 0.79 PIK3CG (0.46) PIK3CGLMNAGAAMAPTHPGD

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-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 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-20120108618-A1 THIA-TRIAZA-INDACENES CCNA1, MKI67, CCNT1 PIK3CG 4396/4885LMNA 1287/4885GAA 980/4885

“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.