SCHEMBL863611

SCHEMBL863611

CCCCN(C)c1nc2c(C)cccc2cc1C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.41
CTSK P43235 2/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
JAK2 O60674 1/20 0.37
AAK1 Q2M2I8 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
SCHEMBL713467 0.79 TSHR (0.43) TSHRHSD17B10AAK1
SCHEMBL863903 0.79 TSHR (0.43) TSHRHSD17B10AAK1
SCHEMBL722794 0.74 TSHR (0.46) PIK3CDTSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL718034 0.72 MEN1 (0.41) PIK3CDTSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL21445289 0.69 TP53 (0.42) TSHRHSD17B10ALDH1A1L3MBTL1AAK1
SCHEMBL860061 0.69 PIK3CD (0.51) PIK3CDALDH1A1
SCHEMBL25130919 0.68 TSHR (0.46) CTSKTSHRHSD17B10AAK1
SCHEMBL15875817 0.68 PDE10A (0.44) PIK3CD
SCHEMBL17530819 0.68 PDE10A (0.44) PIK3CD
SCHEMBL4597214 0.67 TSHR (0.45) CTSKTSHRHSD17B10AAK1

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
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA PIK3CD 14/4885CTSK 1568/4885TSHR 2738/4885

“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.