SCHEMBL22729625

SCHEMBL22729625

COc1cc(F)ccc1-n1cc(C)n2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ AXL P30530 3/20 0.46
▸ MAPT P10636 8/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ PKM P14618 2/20 0.46
▸ HTR1B P28222 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ G6PD P11413 1/20 0.44
▸ MC4R P32245 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ FGFR3 P22607 1/20 0.43

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
SCHEMBL29839336 1.00 PDE10A (0.49) PDE10AMEN1KMT2AHCRTR1AXL
SCHEMBL29839342 0.90 KMT2A (0.53) PDE10AMEN1KMT2AHCRTR1MAPT
SCHEMBL22729798 0.90 KMT2A (0.53) PDE10AMEN1KMT2AHCRTR1MAPT
SCHEMBL22729573 0.90 UGCG (0.51) PDE10AAXLMAPTALDH1A1PKM
SCHEMBL29839311 0.90 UGCG (0.51) PDE10AAXLMAPTALDH1A1PKM
SCHEMBL22729611 0.82 UGCG (0.49) PDE10AMEN1KMT2AHCRTR1AXL
SCHEMBL29839394 0.82 UGCG (0.49) PDE10AMEN1KMT2AHCRTR1AXL
SCHEMBL22755057 0.81 MAPT (0.53) MEN1KMT2AHCRTR1MAPTALDH1A1
SCHEMBL24464344 0.80 KMT2A (0.56) PDE10AMEN1KMT2AHCRTR1AXL
SCHEMBL22755381 0.79 RAB9A (0.49) MEN1KMT2AMAPTALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC PDE10A 638/4885MEN1 1745/4885KMT2A 405/4885

“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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