SCHEMBL19032292

SCHEMBL19032292

CC(C)(C)OC(=O)N1CC2(CCN(c3ccnc4ccc(CC(F)(F)F)cc34)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.44
▸ PARP1 P09874 5/20 0.40
▸ TNKS O95271 2/20 0.40
▸ TNKS2 Q9H2K2 2/20 0.40
▸ SCD5 Q86SK9 1/20 0.39
▸ RORC P51449 2/20 0.39
▸ EIF2AK4 Q9P2K8 1/20 0.38
▸ GPR183 P32249 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ IDE P14735 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ RET P07949 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36

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
SCHEMBL19032194 0.86 KIT (0.44) CYP11B2PARP1TNKSTNKS2MEN1
SCHEMBL30405237 0.81 KIT (0.44) CYP11B2PARP1TNKSTNKS2SCD5
SCHEMBL25280892 0.81 KIT (0.44) CYP11B2PARP1TNKSTNKS2SCD5
SCHEMBL30455650 0.80 CYP11B2 (0.44) CYP11B2PARP1TNKSTNKS2SCD5
SCHEMBL19032175 0.80 CYP2D6 (0.40) MEN1KMT2A
SCHEMBL30406372 0.80 KIT (0.49) CYP11B2PARP1TNKSTNKS2
SCHEMBL19032294 0.78 NCF1 (0.44) —
SCHEMBL1300018 0.78 IDE (0.50) IDECCNCCDK8MEN1KMT2A
SCHEMBL19032186 0.77 NPY2R (0.39) MEN1KMT2A
SCHEMBL30406086 0.76 KIT (0.44) CYP11B2PARP1TNKSTNKS2SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010167-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. 2019-01-10 — — US disclosed
EP-3394064-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, Inc. (US) 2018-10-31 — — EP disclosed
WO-2017112768-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2017-06-29 — — WO disclosed
WO-2017112768-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2017-06-29 — — 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-20190010167-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CYP11B2 3547/4885PARP1 609/4885TNKS 2356/4885

“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.

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