SCHEMBL15923697

SCHEMBL15923697

COc1cc(-n2ccc(I)n2)c(C(F)(F)F)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 3/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAPK3 P27361 5/20 0.32
NTRK1 P04629 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
DYRK3 O43781 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 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
SCHEMBL17253137 0.85 GAA (0.42) MEN1KMT2AGAAGABRA1GABRG2
SCHEMBL15923617 0.82 FFAR4 (0.36) GABRA1GABRG2GABRB3GRIN2BMAPT
SCHEMBL17249522 0.81 NNMT (0.35) MEN1KMT2AGAAGABRA1GABRG2
SCHEMBL15923892 0.80 GABRP (0.30) GABRA1GABRG2GABRB3
SCHEMBL15923708 0.80 CHRM4 (0.35) GABRA1GABRG2GABRB3
SCHEMBL15922260 0.75 MEN1 (0.40) MEN1KMT2AGAANPSR1POLB
SCHEMBL30340520 0.75 MEN1 (0.40) MEN1KMT2AGAANPSR1POLB
SCHEMBL8429223 0.70 NNMT (0.46) MEN1KMT2AGAANPSR1POLB
SCHEMBL15825472 0.69 ELOVL1 (0.43) GABRA1GABRG2GABRB3DYRK1A
SCHEMBL15935163 0.67 MAPT (0.45) GAARXRAGRIN1GRIN2BMAPT

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 7 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-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

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 MEN1 566/4885KMT2A 1201/4885GAA 4102/4885

“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.