SCHEMBL7973945

SCHEMBL7973945

CCOC(=O)N1Cc2cc3nc(-c4c(O)c(-c5ccc(C)cc5)nn4C)[nH]c3cc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 1/20 0.38
SIRT2 Q8IXJ6 6/20 0.37
SIRT1 Q96EB6 5/20 0.37
SIRT3 Q9NTG7 2/20 0.37
ATR Q13535 2/20 0.37
POLB P06746 1/20 0.37
ADRB2 P07550 1/20 0.37
ATM Q13315 2/20 0.36
CHEK2 O96017 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL10140043 0.91 TMEM97 (0.42)
SCHEMBL7970443 0.89 ATR (0.39) ATRCHEK2EGFR
SCHEMBL7972241 0.84 F9 (0.41) MEN1KMT2ATP53SIRT2SIRT1
SCHEMBL10140042 0.84 ATR (0.44) MEN1KMT2AATRCHEK2KDM4E
SCHEMBL7970080 0.82 CA12 (0.35) CHEK2
SCHEMBL7970581 0.81 F9 (0.40) MEN1KMT2AATRCHEK2NPC1
SCHEMBL7973327 0.81 CA12 (0.39) MEN1KMT2AATRCHEK2KDM4E
SCHEMBL7973155 0.80 F9 (0.39) MEN1KMT2AATRCHEK2NPC1
SCHEMBL10172560 0.77 MAPT (0.38) CHEK2MAPT
SCHEMBL7970945 0.76 HDAC3 (0.39) CHEK2

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 MEN1 994/4885KMT2A 2422/4885TP53 4367/4885

“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.