SCHEMBL22729792

SCHEMBL22729792

COc1ccccc1-n1cc(C)c2nccn2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ ATP4A P20648 1/20 0.39
▸ ATP4B P51164 1/20 0.39
▸ GRM1 Q13255 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ CYP17A1 P05093 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL22729540 0.75 ATP4A (0.42) HCAR1GAAALDH1A1ADORA3ADORA1
SCHEMBL22729864 0.72 LMNA (0.41) HCAR1GAAALDH1A1ATP4AATP4B
SCHEMBL22729533 0.72 MAPT (0.42) HCAR1GAAATP4AATP4BKDM4E
SCHEMBL10904420 0.71 GAA (0.47) HCAR1GAAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL9731132 0.71 KCNN4 (0.47) HCAR1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL31494906 0.67 MAPT (0.47) GAAALDH1A1
SCHEMBL27949777 0.66 ATP4A (0.48) CYP1A2CYP3A4CYP2C19ATP4AATP4B
SCHEMBL8151089 0.66 MAT2A (0.44) HCAR1GAAALDH1A1ADORA1MGLL
SCHEMBL7426505 0.65 CYP1A2 (0.59) HCAR1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL22729846 0.65 KDM4E (0.43) GAAALDH1A1CYP3A4CYP2C19SMN1; SMN2

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-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
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 HCAR1 2158/4885GAA 4/4885ALDH1A1 2626/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC HCAR1 2077/4885GAA 4/4885ALDH1A1 2660/4885

“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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