SCHEMBL22729751

SCHEMBL22729751

Cc1cn(CC#N)c(=O)c2c(C(=O)Nc3ccc(N4CCOCC4)cc3)cnn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ PDE10A Q9Y233 1/20 0.46
▸ PKM P14618 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ MITF O75030 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ G6PD P11413 1/20 0.45
▸ MC4R P32245 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ DGAT1 O75907 1/20 0.44
▸ NPC1 O15118 1/20 0.44

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
SCHEMBL22729551 0.86 MAPT (0.51) MAPTALDH1A1SMN1; SMN2RAB9APDE10A
SCHEMBL22729636 0.84 MAPT (0.55) MAPTALDH1A1SMN1; SMN2RAB9APDE10A
SCHEMBL22729465 0.82 MAPT (0.51) MAPTALDH1A1SMN1; SMN2RAB9APDE10A
SCHEMBL22755057 0.78 MAPT (0.53) MAPTALDH1A1SMN1; SMN2RAB9APKM
SCHEMBL22729508 0.78 MAPT (0.54) MAPTALDH1A1SMN1; SMN2RAB9APKM
SCHEMBL29839342 0.76 KMT2A (0.53) MAPTALDH1A1SMN1; SMN2RAB9APDE10A
SCHEMBL22729798 0.76 KMT2A (0.53) MAPTALDH1A1SMN1; SMN2RAB9APDE10A
SCHEMBL22729668 0.74 PDE10A (0.47) MAPTALDH1A1RAB9APDE10APKM
SCHEMBL22729625 0.73 PDE10A (0.49) MAPTALDH1A1SMN1; SMN2RAB9APDE10A
SCHEMBL29839336 0.73 PDE10A (0.49) MAPTALDH1A1SMN1; SMN2RAB9APDE10A

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 MAPT 356/4885ALDH1A1 2626/4885SMN1; SMN2 151/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MAPT 364/4885ALDH1A1 2660/4885SMN1; SMN2 155/4885

“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.

Send feedback