SCHEMBL10140040

SCHEMBL10140040

CCN(CC)C(=O)Oc1c(-c2ccc(C)cc2)nn(C)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.34
TSPO P30536 6/20 0.34
EGFR P00533 1/20 0.33
BRD4 O60885 1/20 0.33
ACHE P22303 1/20 0.33
MAOA P21397 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATR Q13535 1/20 0.32

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
SCHEMBL7960714 0.91 CHEK2 (0.39) CHEK2
SCHEMBL7973947 0.90 CHEK2 (0.36) CHEK2EGFRBRD4SIRT2SIRT1
SCHEMBL10140004 0.90 SCD (0.36) MEN1KMT2AATR
SCHEMBL16258986 0.90 TSPO (0.30) TSPO
SCHEMBL10140006 0.90 CHEK2 (0.38) CHEK2SIRT2SIRT1
SCHEMBL7980011 0.87 CHEK2 (0.38) CHEK2EGFRBRD4MEN1KMT2A
SCHEMBL10172564 0.87 MAPT (0.37) BRD4
SCHEMBL7975823 0.87 HDAC3 (0.43) ACHESIRT2SIRT1
SCHEMBL10140005 0.87 PTGDR2 (0.33) TSPOKMT2A
SCHEMBL7978501 0.86 F10 (0.36) BRD4SIRT2SIRT1

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 6 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

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 4794/4885TSPO 3656/4885EGFR 1295/4885

“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.