SCHEMBL19032363

SCHEMBL19032363

C=C(C)CNC(=S)N1CC2(C1)CN(c1ncnc3ccc(OC(F)(F)F)cc13)C2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 2/20 0.41
▸ PDGFRB P09619 12/20 0.40
▸ PDGFRA P16234 10/20 0.40
▸ MAPK7 Q13164 2/20 0.40
▸ KIT P10721 4/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37

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
SCHEMBL19049700 0.89 PDGFRB (0.51) MTNR1BPDGFRBPDGFRAMAPK7KIT
SCHEMBL19032267 0.77 MAPK7 (0.47) MTNR1BPDGFRBMAPK7KITPDE3B
SCHEMBL19032180 0.75 PDE3B (0.42) MTNR1BMAPK7KITPDE3BPDE3A
SCHEMBL25275560 0.73 PIM1 (0.48) MAPK7KITPDE3BPDE3A
SCHEMBL25423050 0.73 MAPK7 (0.48) MTNR1BPDGFRBMAPK7KITPDE3B
SCHEMBL19032233 0.72 MEN1 (0.46) MAPK7KITPDE3BPDE3A
SCHEMBL25232266 0.71 MAPK7 (0.47) MTNR1BMAPK7KIT
SCHEMBL30405719 0.71 MAPK7 (0.47) MTNR1BMAPK7KIT
SCHEMBL30406045 0.71 MAPK7 (0.44) MTNR1BMAPK7KIT
SCHEMBL30543218 0.67 AKT2 (0.46) MTNR1BMAPK7KITPDE3BPDE3A

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 MTNR1B 1080/4885PDGFRB 3333/4885PDGFRA 3598/4885

“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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