SCHEMBL15924299

SCHEMBL15924299

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
CYP2D6 P10635 1/20 0.39
RXRA P19793 4/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
ELOVL1 Q9BW60 1/20 0.35
OPRM1 P35372 1/20 0.35
CACNA2D1 P54289 1/20 0.35
ACVR2A P27037 3/20 0.34
TGFBR2 P37173 3/20 0.34
S1PR1 P21453 1/20 0.34
TGFBR1 P36897 1/20 0.34
CYP17A1 P05093 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
SMARCA2 P51531 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
SCHEMBL15935026 0.86 CYP2C9 (0.40) CYP2C9NR1H2NR1H3CYP2D6RXRA
SCHEMBL15923680 0.84 ELOVL1 (0.41) CYP2C9NR1H2NR1H3CYP2D6RXRA
SCHEMBL15935171 0.77 ELOVL1 (0.42) CYP2C9NR1H2NR1H3CYP2D6RXRA
SCHEMBL15935207 0.77 CYP2C9 (0.39) CYP2C9NR1H2NR1H3CYP2D6RXRA
SCHEMBL23320349 0.75 MEN1 (0.40) CYP2C9NR1H2NR1H3CYP2D6RXRA
SCHEMBL30943157 0.75 MEN1 (0.40) CYP2C9NR1H2NR1H3CYP2D6RXRA
SCHEMBL31333483 0.75 PRKCI (0.40) RXRAGRIN1GRIN2BLOXLOXL2
SCHEMBL15935032 0.74 ELOVL1 (0.44) CYP2C9NR1H2NR1H3CYP2D6RXRA
SCHEMBL15923519 0.72 LOX (0.40) CYP2C9NR1H2NR1H3CYP2D6RXRA
SCHEMBL31437852 0.71 LOX (0.40) CYP2C9NR1H2NR1H3CYP2D6LOX

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 10 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
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 CYP2C9 74/4885NR1H2 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.