SCHEMBL17253137

SCHEMBL17253137

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NTRK1 P04629 1/20 0.40
TDO2 P48775 1/20 0.38
MAPK3 P27361 6/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
OPRK1 P41145 3/20 0.33
NPC1 O15118 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
SCHEMBL15923697 0.85 MEN1 (0.35) GAAMAPTNTRK1MAPK3MAPK1
SCHEMBL15935163 0.82 MAPT (0.45) GAAMAPTRAB9AKDM4EALDH1A1
SCHEMBL15935165 0.79 MAPT (0.45) GAAMAPTRAB9AKDM4EALDH1A1
SCHEMBL15935205 0.79 MAPT (0.45) GAAMAPTRAB9AKDM4EALDH1A1
SCHEMBL8429223 0.74 NNMT (0.46) GAAMAPTMAPK3MAPK1MEN1
SCHEMBL30340520 0.70 MEN1 (0.40) GAAMAPTMAPK3MAPK1MEN1
SCHEMBL15922260 0.70 MEN1 (0.40) GAAMAPTMAPK3MAPK1MEN1
SCHEMBL16574219 0.69 HSD17B1 (0.44) GAAMAPTRAB9AKDM4EALDH1A1
SCHEMBL24375514 0.69 MEN1 (0.44) GAAMAPTRAB9AKDM4EALDH1A1
SCHEMBL15935032 0.68 ELOVL1 (0.44) GAAMAPTRAB9AKDM4EALDH1A1

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 3 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-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US 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 GAA 4102/4885MAPT 4751/4885RAB9A 556/4885

“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.