SCHEMBL22729527

SCHEMBL22729527

Cc1cn(C)c(=O)c2c(C(=O)Nc3ccnn3CC(F)(F)F)nn(C)c12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.34
▸ KCNJ6 P48051 2/20 0.32
▸ KCNJ5 P48544 2/20 0.32
▸ KCNJ3 P48549 2/20 0.32
▸ MAPK14 Q16539 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ RAF1 P04049 5/20 0.31
▸ BRAF P15056 5/20 0.31
▸ HTR3A P46098 1/20 0.30
▸ MAPK13 O15264 1/20 0.30
▸ MAPK12 P53778 1/20 0.30
▸ MAPK11 Q15759 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 0.84 PIK3CA (0.35) MAPK14MEN1KMT2APIK3CA
SCHEMBL22729562 0.78 PIK3CA (0.34) MAPK14MEN1KMT2APIK3CARAF1
SCHEMBL22729654 0.71 TDP1 (0.52) RAF1BRAF
SCHEMBL22729628 0.68 BRD4 (0.38) KMT2A
Hydrochloric Acid SCHEMBL22729563 0.68 KDM4E (0.36) MEN1KMT2A
SCHEMBL22755188 0.67 PIK3CA (0.34) KCNJ6KCNJ5KCNJ3MAPK14KMT2A
SCHEMBL22729591 0.67 BRD4 (0.47) MEN1KMT2AHTR3A
SCHEMBL22729793 0.66 ALDH1A1 (0.55) MEN1KMT2A
SCHEMBL22729460 0.63 BRAF (0.39) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL19533288 0.60 AURKA (0.33) RET

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 RET 4346/4885KCNJ6 2089/4885KCNJ5 1319/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC RET 4334/4885KCNJ6 2266/4885KCNJ5 1433/4885

“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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