SCHEMBL19979031

SCHEMBL19979031

CC(C)(C)OC(=O)N1CC[C@]2(CCN(c3ncnc4sc(CC(F)(F)F)cc34)C2)C1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 19/20 0.62
KMT2A Q03164 9/20 0.62
P2RY12 Q9H244 1/20 0.48

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
SCHEMBL19032310 1.00 MEN1 (0.62) MEN1KMT2AP2RY12
SCHEMBL21160537 1.00 MEN1 (0.62) MEN1KMT2AP2RY12
SCHEMBL19979068 0.96 MEN1 (0.61) MEN1KMT2AP2RY12
SCHEMBL19979056 0.96 MEN1 (0.61) MEN1KMT2AP2RY12
SCHEMBL19979058 0.96 MEN1 (0.65) MEN1KMT2AP2RY12
SCHEMBL19032305 0.96 MEN1 (0.59) MEN1KMT2AP2RY12
SCHEMBL19032271 0.95 MEN1 (0.59) MEN1KMT2AP2RY12
SCHEMBL19850562 0.93 MEN1 (0.53) MEN1KMT2AP2RY12
SCHEMBL19032298 0.90 MEN1 (0.55) MEN1KMT2AP2RY12
SCHEMBL19838148 0.90 MEN1 (0.55) MEN1KMT2AP2RY12

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-11220517-B2 Spiro bicyclic inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-01-11 US disclosed
EP-3512857-B1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2021-02-24 EP disclosed
US-20190211036-A1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2019-07-11 US disclosed
WO-2018050686-A1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2018-03-22 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 (2 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-11220517-B2 Spiro bicyclic inhibitors of menin-MLL interaction BMI1, MLLT1, MEN1 MEN1 3/4885KMT2A 62/4885P2RY12 3986/4885
US-20190211036-A1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, MEN1 MEN1 3/4885KMT2A 92/4885P2RY12 4239/4885

“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.