SCHEMBL10140125

SCHEMBL10140125

CCN(CC)C(=O)Oc1c(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)nn(C)c1-c1nc2cc(C(=N)N)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
F10 P00742 3/20 0.37
F9 P00740 1/20 0.37
F11 P03951 1/20 0.37
ATR Q13535 2/20 0.36
ALDH1A1 P00352 1/20 0.34
PLG P00747 4/20 0.34
PLAU P00749 4/20 0.34
F2 P00734 2/20 0.34
PLAT P00750 1/20 0.34
PRSS1 P07477 1/20 0.34
F7 P08709 1/20 0.34
SCD O00767 1/20 0.34
PRKDC P78527 1/20 0.34
ATM Q13315 1/20 0.34
CHEK2 O96017 1/20 0.33

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
SCHEMBL12758129 0.93 MEN1 (0.36) MEN1KMT2ANPC1RAB9AF10
SCHEMBL7972893 0.89 F10 (0.37) F10F9F11PLGPLAU
SCHEMBL16258967 0.88 MEN1 (0.39) MEN1KMT2ANPC1RAB9AF10
SCHEMBL10140128 0.83 F10 (0.34) F10F9F11PLGPLAU
SCHEMBL10140004 0.83 SCD (0.36) MEN1KMT2ANPC1RAB9AATR
SCHEMBL10140130 0.83 HDAC3 (0.43) CHEK2
SCHEMBL7960714 0.78 CHEK2 (0.39) CHEK2
SCHEMBL10139996 0.75 F10 (0.54) F10F9F11ATRPLG
SCHEMBL10140129 0.75 HDAC1 (0.34) CHEK2
SCHEMBL10140006 0.73 CHEK2 (0.38) ALDH1A1CHEK2

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 3 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
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

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 2422/4885NPC1 1029/4885

“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.