SCHEMBL25069986

SCHEMBL25069986

CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(-c3ccn(-c4ccccc4)n3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 7/20 0.41
▸ HPGD P15428 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TYK2 P29597 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL25069959 0.90 TYK2 (0.40) SMN1; SMN2ALDH1A1HPGDLMNATYK2
SCHEMBL25069960 0.88 TYK2 (0.47) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL20689061 0.85 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL20689065 0.77 TYK2 (0.53) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL21246137 0.77 POLB (0.40) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL21258581 0.76 TYK2 (0.52) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL20689058 0.75 TYK2 (0.62) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL25069973 0.72 CYP1A2 (0.43) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL25070271 0.71 GPR119 (0.33) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL20696957 0.71 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 — — US 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-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SMN1; SMN2 1145/4885ALDH1A1 4827/4885HPGD 4476/4885

“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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