SCHEMBL17825660

SCHEMBL17825660

COc1ccc(COc2cc(C(C#N)c3cccc(F)c3)nc3c(F)ccc(C)c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.41
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
CSF1R P07333 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAOB P27338 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE2A O00408 1/20 0.32
CYP3A4 P08684 2/20 0.32
PDE10A Q9Y233 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 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
SCHEMBL19813236 0.85 F9 (0.46) F9AURKARPS6KB1ALDH1A1LMNA
SCHEMBL17825614 0.74 NPC1 (0.39) LMNAGAACSF1RNPC1RAB9A
SCHEMBL21828758 0.74 NPC1 (0.35) AURKARPS6KB1ALDH1A1LMNAGAA
SCHEMBL17835176 0.72 ALDH1A1 (0.43) F9RPS6KB1ALDH1A1LMNAGAA
SCHEMBL19813303 0.71 F9 (0.84) F9CYP3A4CYP2D6CYP2C9
SCHEMBL21828644 0.65 MAOB (0.49) ALDH1A1LMNASGMS2MAOBHPGD
SCHEMBL31496915 0.61 FFAR1 (0.52) NPC1RAB9AMAOBFFAR1FFAR4
SCHEMBL188646 0.61 NPC1 (0.59) ALDH1A1LMNAGAASGMS2CSF1R
SCHEMBL29031389 0.60 KCNA5 (0.40) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL15872037 0.60 GAA (0.60) ALDH1A1GAANPC1RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 EP disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 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-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 F9 1/4885AURKA 596/4885RPS6KB1 1452/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 F9 1/4885AURKA 596/4885RPS6KB1 1452/4885

“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.