SCHEMBL19032180

SCHEMBL19032180

FC(F)(F)Oc1ccc2ncnc(N3CC4(CNC4)C3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ MAPK7 Q13164 2/20 0.42
▸ HTT P42858 1/20 0.40
▸ KIT P10721 7/20 0.40
▸ AKT2 P31751 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ SCN4A P35499 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ ENPP1 P22413 1/20 0.38

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
SCHEMBL30543218 0.89 AKT2 (0.46) PDE3BPDE3AMAPK7HTTKIT
SCHEMBL25275560 0.89 PIM1 (0.48) PDE3BPDE3AMAPK7HTTKIT
SCHEMBL19049712 0.82 HTT (0.61) PDE3BPDE3AMAPK7HTTMTNR1B
SCHEMBL25423050 0.80 MAPK7 (0.48) PDE3BPDE3AMAPK7KITMTNR1B
SCHEMBL19032233 0.78 MEN1 (0.46) PDE3BPDE3AMAPK7KIT
SCHEMBL19032267 0.78 MAPK7 (0.47) PDE3BPDE3AMAPK7KITMTNR1B
SCHEMBL25232266 0.76 MAPK7 (0.47) MAPK7KITMTNR1B
SCHEMBL30405719 0.76 MAPK7 (0.47) MAPK7KITMTNR1B
SCHEMBL19032363 0.75 MTNR1B (0.41) PDE3BPDE3AMAPK7KITMTNR1B
SCHEMBL19032166 0.73 PDE3B (0.39) PDE3BPDE3AMAPK7KITAKT2

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 PDE3B 4739/4885PDE3A 4759/4885MAPK7 1036/4885

“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.

Send feedback