SCHEMBL15924577

SCHEMBL15924577

Cc1cc(Br)nn1-c1ccnc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
RXRA P19793 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.37
LOX P28300 1/20 0.36
STIM1 Q13586 2/20 0.36
ORAI1 Q96D31 2/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
NPY5R Q15761 1/20 0.34
ACACB O00763 1/20 0.34
MAPT P10636 1/20 0.34
PIM1 P11309 1/20 0.33
CYP17A1 P05093 1/20 0.33
CHRM2 P08172 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
SCHEMBL15935406 0.85 AR (0.46) ARRXRAGRIN1GRIN2BLOXL2
SCHEMBL15825596 0.82 AR (0.44) ARRXRAGRIN1GRIN2BLOXL2
SCHEMBL19068634 0.81 AR (0.43) ARRXRAGRIN1GRIN2BLOXL2
SCHEMBL15832410 0.80 AR (0.45) ARRXRAGRIN1GRIN2BLOXL2
SCHEMBL30847862 0.77 AR (0.47) ARRXRAGRIN1GRIN2BLOXL2
SCHEMBL27137540 0.77 AR (0.47) ARRXRAGRIN1GRIN2BLOXL2
SCHEMBL15923998 0.72 MAPT (0.36) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL15832232 0.70 AR (0.46) ARRXRAGRIN1GRIN2BLOXL2
SCHEMBL23176152 0.70 MAPT (0.36) ARKDM4EALDH1A1HPGDMAPT
SCHEMBL30017244 0.70 PDE4B (0.40) ARRXRAGRIN1GRIN2BLOXL2

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 AR 1644/4885RXRA 1838/4885GRIN1 3949/4885

“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.