SCHEMBL15820110

SCHEMBL15820110

N#Cc1cc2c(Cl)nccc2cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KHK P50053 1/20 0.39
CSNK1A1 P48729 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.36
CHUK O15111 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAP4K4 O95819 1/20 0.34
NR4A2 P43354 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
LRRK2 Q5S007 1/20 0.33
SOS2 Q07890 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
APEX1 P27695 1/20 0.33
PMP22 Q01453 1/20 0.33
MAP4K1 Q92918 1/20 0.33
KDM4E B2RXH2 3/20 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
SCHEMBL26071652 0.79 ALDH1A1 (0.39) ALDH1A1KHKCLK4NCOA3NPSR1
SCHEMBL4000886 0.78 CASP6 (0.49) ALDH1A1MAP4K4NR4A2MAPTMAPK1
SCHEMBL17137114 0.77 NCOA3 (0.40) ALDH1A1KHKCLK4NCOA3NPSR1
SCHEMBL16858473 0.77 KHK (0.42) ALDH1A1KHKNCOA3NPSR1TDP1
SCHEMBL30497372 0.77 NCOA3 (0.40) ALDH1A1KHKCLK4NCOA3NPSR1
SCHEMBL28551219 0.77 ALDH1A1 (0.46) ALDH1A1KHKCLK4NCOA3NPSR1
SCHEMBL7214223 0.75 CYP3A4 (0.38) TDP1MAP4K4NR4A2MAPTMAPK1
SCHEMBL17136997 0.74 IRAK4 (0.51) ALDH1A1MAPTMAPK1LMNACYP3A4
SCHEMBL30497336 0.74 IRAK4 (0.51) ALDH1A1MAPTMAPK1LMNACYP3A4
SCHEMBL17137611 0.72 TDP1 (0.42) ALDH1A1TDP1MAPTMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934536-B1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
US-9695198-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-04 US disclosed
US-20150368269-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-24 US disclosed
EP-2934536-A1 FACTOR IXa INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
WO-2014099694-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 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-20150368269-A1 Factor IXa Inhibitors F9, TFPI, F13B ALDH1A1 1321/4885KHK 3033/4885CSNK1A1 3114/4885

“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.