SCHEMBL30311213

SCHEMBL30311213

CC(C)(C)OC(=O)N1CCCC[C@H]1c1cc2nc(C3(NC(=O)OCc4ccccc4)CC3)cc(Cl)n2n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 1/20 0.38
▸ FKBP1A P62942 6/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ TMEM97 Q5BJF2 5/20 0.36
▸ SIGMAR1 Q99720 5/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL22175860 0.90 TMEM97 (0.38) AADATFKBP1APRMT5TMEM97SIGMAR1
SCHEMBL22176306 0.79 KLK7 (0.41) AADATPRMT5TMEM97SIGMAR1KLK7
SCHEMBL30311378 0.79 KLK7 (0.41) AADATPRMT5TMEM97SIGMAR1KLK7
SCHEMBL15958257 0.78 AADAT (0.48) AADATFKBP1ATMEM97SIGMAR1NPSR1
SCHEMBL30311334 0.78 KLK7 (0.40) AADATPRMT5TMEM97SIGMAR1KLK7
SCHEMBL22164195 0.78 TSHR (0.40) TSHRMAPTNPSR1
SCHEMBL2737942 0.75 PDE8B (0.40) TSHRMAPTNPSR1
SCHEMBL221557 0.75 TSHR (0.38) TSHRMAPTNPSR1
SCHEMBL221048 0.75 AADAT (0.48) AADATFKBP1ATMEM97SIGMAR1NPSR1
SCHEMBL22164263 0.74 PDE8B (0.37) TSHRMAPTNPSR1

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-20230069963-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2023-03-09 — — 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-20230069963-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND ZC3HAV1, ZC3HAV1L, IL5 AADAT 3113/4885FKBP1A 1479/4885PRMT5 356/4885

“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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