SCHEMBL860477

SCHEMBL860477

N#Cc1ccc(Oc2ccc(N)c(Oc3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
NR4A1 P22736 1/20 0.45
AR P10275 2/20 0.44
CYP19A1 P11511 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
IL18 Q14116 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL20982556 0.85 NR4A1 (0.65) PARP15PARP10PARP2NR4A1AR
SCHEMBL6294696 0.85 AR (0.55) PARP15PARP10PARP2ARALDH1A1
SCHEMBL1298036 0.81 KDM4E (0.47) PARP15PARP10PARP2ARKDM4E
SCHEMBL1340711 0.80 IKBKB (0.56) PARP15PARP10PARP2ARCYP19A1
SCHEMBL8545963 0.79 PARP15 (0.45) PARP15PARP10PARP2ARCYP19A1
SCHEMBL8546657 0.79 MERTK (0.52) PARP15PARP10PARP2ARCYP19A1
SCHEMBL6544171 0.78 PARP15 (0.45) PARP15PARP10PARP2NR4A1CYP19A1
SCHEMBL8852392 0.78 PARP15 (0.63) PARP15PARP10PARP2ARCYP19A1
SCHEMBL7041250 0.78 PARP15 (0.63) PARP15PARP10PARP2ARCYP19A1
SCHEMBL7020181 0.77 AR (0.46) PARP15PARP10PARP2ARCYP19A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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 (2 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PARP15 118/4885PARP10 309/4885PARP2 768/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PARP15 118/4885PARP10 309/4885PARP2 768/4885

“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.