SCHEMBL22164278

SCHEMBL22164278

C=CCO[C@H]1C[C@@H](c2cc(Cl)n3nc([C@@H]4CCCCN4C(=O)OC(C)(C)C)cc3n2)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.34
▸ LMNA P02545 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ PDE8B O95263 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ EPHA2 P29317 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ CHEK2 O96017 1/20 0.31

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
SCHEMBL22175845 1.00 TSHR (0.34) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL22176306 0.86 KLK7 (0.41) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL30311378 0.86 KLK7 (0.41) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL2737942 0.85 PDE8B (0.40) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL22175827 0.84 PDE8B (0.37) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL22164263 0.84 PDE8B (0.37) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL22164195 0.81 TSHR (0.40) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL221557 0.80 TSHR (0.38) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL21279510 0.77 TSHR (0.37) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL2737893 0.77 TSHR (0.37) TSHRLMNAMEN1KMT2AMAPT

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 2 patents. 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
WO-2020138015-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND 大正製薬株式会社 2020-07-02 — — WO 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 TSHR 3277/4885LMNA 4342/4885MEN1 2874/4885

“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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