SCHEMBL15923680

SCHEMBL15923680

COc1cc(-n2cc(F)c(Br)n2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.41
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.38
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
RXRA P19793 8/20 0.35
GRIN1 Q05586 8/20 0.35
GRIN2B Q13224 8/20 0.35
MAT2A P31153 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CYP17A1 P05093 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
SCHEMBL15924299 0.84 CYP2C9 (0.39) ELOVL1NR1H2NR1H3CYP2C9CYP2D6
SCHEMBL15935171 0.84 ELOVL1 (0.42) ELOVL1NR1H2NR1H3CYP2C9CYP2D6
SCHEMBL15923723 0.79 GABRG2 (0.40)
SCHEMBL15935026 0.76 CYP2C9 (0.40) ELOVL1NR1H2NR1H3CYP2C9CYP2D6
SCHEMBL15924205 0.75 RXRA (0.41) LOXLOXL2RXRAGRIN1GRIN2B
SCHEMBL15924552 0.74 GRM5 (0.32)
SCHEMBL23320349 0.74 MEN1 (0.40) ELOVL1NR1H2NR1H3CYP2C9CYP2D6
SCHEMBL30943157 0.74 MEN1 (0.40) ELOVL1NR1H2NR1H3CYP2C9CYP2D6
SCHEMBL31333483 0.74 PRKCI (0.40) LOXLOXL2RXRAGRIN1GRIN2B
SCHEMBL24921186 0.74 ACVR2A (0.39) ELOVL1LOXLOXL2HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934538-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2021-03-31 EP disclosed
EP-2934538-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2021-03-31 EP disclosed
US-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 US disclosed
US-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 US disclosed
US-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 US disclosed
US-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
US-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
US-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
EP-2934538-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
WO-2014120346-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 WO disclosed
WO-2014120346-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 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-20150322056-A1 Factor IXa Inhibitors F9, F12, F8 ELOVL1 4046/4885NR1H2 699/4885NR1H3 766/4885

“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.