SCHEMBL22729562

SCHEMBL22729562

Cc1cn(C)c(=O)c2c(C(=O)Nc3ccnn3CC(F)(F)F)csc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.34
▸ MAPK14 Q16539 3/20 0.32
▸ RAF1 P04049 4/20 0.32
▸ BRAF P15056 4/20 0.32
▸ EIF4EBP1 Q13541 2/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ RXFP1 Q9HBX9 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL22729802 0.83 PIK3CA (0.35) PIK3CAMAPK14KDM4EKMT2AMEN1
SCHEMBL22729527 0.78 RET (0.34) PIK3CAMAPK14RAF1BRAFKMT2A
SCHEMBL22755188 0.70 PIK3CA (0.34) PIK3CAMAPK14RAF1KMT2A
SCHEMBL22729595 0.68 BRD4 (0.58) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL22729400 0.68 BCAT2 (0.38) EIF4EBP1KMT2AMEN1LMNA
SCHEMBL22729775 0.68 MAP2K1 (0.43) MAPK14KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL22729749 0.65 ADORA2A (0.44) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL29839384 0.65 ADORA2A (0.44) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL27199691 0.65 BCAT2 (0.35) KMT2AMEN1LMNA
SCHEMBL2826090 0.62 ALDH1A1 (0.34) NPSR1ALDH1A1

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-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC PIK3CA 1514/4885MAPK14 1506/4885RAF1 3726/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC PIK3CA 1435/4885MAPK14 1556/4885RAF1 3727/4885

“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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