SCHEMBL19032267

SCHEMBL19032267

CC(C)(C)OC(=O)N1CC2(C1)CN(c1ncnc3ccc(OC(F)(F)F)cc13)C2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 3/20 0.47
▸ MTNR1B P49286 2/20 0.43
▸ KIT P10721 11/20 0.42
▸ EGLN2 Q96KS0 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39

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
SCHEMBL25232266 0.92 MAPK7 (0.47) MAPK7MTNR1BKITMAP4K4
SCHEMBL30405719 0.92 MAPK7 (0.47) MAPK7MTNR1BKITMAP4K4
SCHEMBL19049680 0.87 MAPK7 (0.58) MAPK7MTNR1BKITPDGFRBMAP4K4
SCHEMBL25423050 0.80 MAPK7 (0.48) MAPK7MTNR1BKITPDE3BPDE3A
SCHEMBL19032180 0.78 PDE3B (0.42) MAPK7MTNR1BKITPDE3BPDE3A
SCHEMBL30406045 0.78 MAPK7 (0.44) MAPK7MTNR1BKIT
SCHEMBL19032363 0.77 MTNR1B (0.41) MAPK7MTNR1BKITPDE3BPDE3A
SCHEMBL30902204 0.77 HTT (0.48) MTNR1BKITPDGFRBMAP4K4
SCHEMBL30902146 0.77 HTT (0.48) MTNR1BKITPDGFRBMAP4K4
SCHEMBL18357553 0.77 LIPE (0.51) EGLN2

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 MAPK7 1036/4885MTNR1B 1080/4885KIT 2776/4885

“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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