SCHEMBL4944872

SCHEMBL4944872

CCNc1ccc(C(=O)C2C(=O)c3sc(NC(=O)OC)nc3CC2C)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.40
LMNA P02545 5/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALOX5 P09917 1/20 0.32
OGA O60502 4/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 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
SCHEMBL4947807 0.90 HCAR3 (0.41) HCAR3LMNAMAPTGAAHPGD
SCHEMBL691192 0.89 HCAR3 (0.40) HCAR3LMNAMAPTGAAHPGD
SCHEMBL691769 0.84 HCAR3 (0.44) HCAR3MAPTALDH1A1
SCHEMBL2691580 0.78 LMNA (0.42) LMNAMAPTGAAHPGDOGA
SCHEMBL2689454 0.77 LMNA (0.41) LMNAMAPTGAAHPGDSMN1; SMN2
SCHEMBL4759337 0.76 LMNA (0.38) HCAR3LMNAMAPTGAAHPGD
SCHEMBL4759320 0.75 LMNA (0.40) LMNAMAPTGAAHPGDMAPK1
SCHEMBL1770533 0.74 HCAR3 (0.38) HCAR3LMNAMAPTHPGDTSHR
SCHEMBL4949067 0.74 LMNA (0.37) LMNAMAPTGAAHPGDSMN1; SMN2
SCHEMBL1770530 0.74 HCAR3 (0.41) HCAR3LMNAMAPTGAAHPGD

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 4 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
EP-2421872-B1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
WO-2010122091-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO 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 HCAR3 4031/4885LMNA 1287/4885MAPT 1921/4885

“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.