SCHEMBL716189

SCHEMBL716189

Cc1nc(N)nc(N[C@@H](C)c2cc3cccc(C)c3nc2N2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALOX15 P16050 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
PIK3CD O00329 13/20 0.44
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 2/20 0.39
CLK1 P49759 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL15875803 0.91 TSHR (0.38) TSHRL3MBTL1ALOX15CASP1CASP7
SCHEMBL715520 0.91 PIK3CD (0.46) TSHRL3MBTL1ALOX15CASP1CASP7
SCHEMBL715604 0.91 PIK3CD (0.47) TSHRL3MBTL1ALOX15CASP1CASP7
SCHEMBL717467 0.85 PIK3CD (0.41) TSHRL3MBTL1ALOX15CASP1CASP7
SCHEMBL716805 0.84 PIK3CD (0.40) TSHRL3MBTL1ALOX15CASP1CASP7
SCHEMBL713421 0.84 OPRK1 (0.40) TSHRL3MBTL1ALOX15CASP1CASP7
SCHEMBL15875847 0.84 OPRK1 (0.40) TSHRL3MBTL1ALOX15CASP1CASP7
SCHEMBL713708 0.83 PIK3CD (0.53) PIK3CD
SCHEMBL713709 0.83 PIK3CD (0.53) PIK3CD
SCHEMBL15875870 0.82 PIK3CB (0.39) TSHRPIK3CD

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
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP claimed
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 931/4885L3MBTL1 2277/4885ALOX15 1365/4885

“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.