SCHEMBL17160484

SCHEMBL17160484

CCNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
KMT2A Q03164 4/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALPL P05186 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KEAP1 Q14145 2/20 0.40
SQSTM1 Q13501 1/20 0.40
NFE2L2 Q16236 1/20 0.40
POLB P06746 2/20 0.39
GLO1 Q04760 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL15649467 0.86 LMNA (0.43) LMNAKMT2ATSHRHTTNPSR1
SCHEMBL15462778 0.85 ALPL (0.51) LMNAKMT2AALPLALDH1A1MEN1
SCHEMBL1544034 0.84 LMNA (0.46) LMNAKMT2AALPLALDH1A1MEN1
SCHEMBL15649599 0.79 KMT2A (0.48) LMNAKMT2ATSHRHTTNPSR1
SCHEMBL15648545 0.76 ALDH1A1 (0.47) LMNAKMT2ATSHRHTTNPSR1
SCHEMBL15459550 0.76 ALPL (0.51) LMNAKMT2ATSHRNPSR1ALPL
SCHEMBL15648607 0.76 PIK3CB (0.54) LMNAKMT2ATSHRHTTALPL
SCHEMBL791191 0.76 PDGFRB (0.44) ALPLPOLBSLC40A1
SCHEMBL15650005 0.76 ALPL (0.50) ALPL
SCHEMBL22508714 0.76 ALPL (0.50) LMNAHTTALPLALDH1A1

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-9388189-B2 Pyrrolotriazinone derivatives as PI3K inhibitors ALMIRALL, S.A. (ES) 2016-07-12 US disclosed
US-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2015-10-15 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-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS PIK3CB, PIK3CD, PIK3CA LMNA 3935/4885KMT2A 2530/4885TSHR 2383/4885

“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.