SCHEMBL722794

SCHEMBL722794

Cc1cccc2cc([C@H](C)NC(=O)OC(C)(C)C)c(N3CCCC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PIK3CD O00329 8/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
USP2 O75604 1/20 0.38
CLK1 P49759 1/20 0.38
ATM Q13315 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
SCHEMBL718034 0.91 MEN1 (0.41) TSHRALOX15CASP1CASP7L3MBTL1
SCHEMBL15875817 0.85 PDE10A (0.44) PIK3CD
SCHEMBL17530819 0.85 PDE10A (0.44) PIK3CD
SCHEMBL863903 0.81 TSHR (0.43) TSHRKDM4ESMN1; SMN2HSD17B10AAK1
SCHEMBL713467 0.81 TSHR (0.43) TSHRKDM4ESMN1; SMN2HSD17B10AAK1
SCHEMBL716288 0.78 DRD2 (0.40) SMN1; SMN2
SCHEMBL715545 0.77 TSHR (0.41) TSHRALOX15CASP1CASP7L3MBTL1
SCHEMBL715190 0.77 MAPK1 (0.36) L3MBTL1PIK3CDATM
SCHEMBL716672 0.76 PIK3CD (0.51) TSHRALOX15CASP1CASP7L3MBTL1
SCHEMBL716164 0.76 AKT1 (0.40) TSHRALOX15CASP1CASP7L3MBTL1

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-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP disclosed
US-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 US disclosed
US-20120053167-A1 Triazine Derivatives as Kinase Inhibitors UCB PHARMA, S.A. (BE) 2012-03-01 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-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 TSHR 931/4885ALOX15 1365/4885CASP1 700/4885

“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.