SCHEMBL19687736

SCHEMBL19687736

FC(F)(F)Cc1cc2c(N3CCC4(CNC4)C3)ncnc2s1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 19/20 0.68
▸ KMT2A Q03164 8/20 0.68
▸ KDM1A O60341 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47

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
SCHEMBL19032366 0.94 MEN1 (0.62) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL19979214 0.93 MEN1 (0.65) MEN1KMT2A
SCHEMBL19979483 0.93 MEN1 (0.65) MEN1KMT2A
SCHEMBL19032309 0.93 MEN1 (0.65) MEN1KMT2A
Hydrochloric Acid SCHEMBL19032403 0.93 MEN1 (0.61) MEN1KMT2AKDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL19032282 0.92 MEN1 (0.64) MEN1KMT2A
SCHEMBL19032370 0.91 MEN1 (0.59) MEN1KMT2A
SCHEMBL19032206 0.88 MEN1 (0.59) MEN1KMT2A
Hydrochloric Acid SCHEMBL19838256 0.88 MEN1 (0.69) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL19838146 0.88 MEN1 (0.64) MEN1KMT2A

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 5 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
WO-2017205972-A1 SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER GENOMEDX BIOSCIENCES, INC. (CA) 2017-12-07 — — 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 62/4885KDM1A 403/4885
US-20190211036-A1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, MEN1 MEN1 3/4885KMT2A 92/4885KDM1A 710/4885

“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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