SCHEMBL7961586

SCHEMBL7961586

COc1c(-c2ccccc2)nn(C)c1-c1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 8/20 0.53
PDE4A P27815 4/20 0.51
PDE4B Q07343 4/20 0.51
PDE4C Q08493 4/20 0.51
PDE4D Q08499 4/20 0.51
MLKL Q8NB16 1/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR4A2 P43354 1/20 0.48
HSP90AA1 P07900 1/20 0.48
ESR2 Q92731 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL10140405 0.93 CHEK2 (0.48) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL7960793 0.92 KDM4E (0.52) CHEK2KDM4ENPC1ALDH1A1HPGD
SCHEMBL7966206 0.92 CHEK2 (0.61) CHEK2
SCHEMBL10139875 0.90 HDAC6 (0.49) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL7959385 0.90 CHEK2 (0.57) CHEK2SMN1; SMN2HDAC3HDAC1HDAC8
SCHEMBL10140879 0.89 POLB (0.48) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL10172745 0.88 PDE4A (0.50) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL7976986 0.86 CHEK2 (0.53) CHEK2MLKLKDM4ENPC1ALDH1A1
SCHEMBL7982191 0.86 P2RY6 (0.51) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL10139799 0.85 NPC1 (0.65) KDM4ENPC1ALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 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 (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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 CHEK2 4794/4885PDE4A 2629/4885PDE4B 2540/4885

“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.