SCHEMBL22176362

SCHEMBL22176362

CCNCCCCOc1ccc(F)cc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HSP90AA1 P07900 2/20 0.49
MAPT P10636 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 6/20 0.41
KMT2A Q03164 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL22175901 0.90 MAPT (0.46) ALDH1A1HSP90AA1MAPTCYP2C9CYP1A2
SCHEMBL22176051 0.88 L3MBTL4 (0.48) ALDH1A1HSP90AA1MAPTCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL22164285 0.87 L3MBTL4 (0.47) ALDH1A1HSP90AA1MAPTCYP2C9CYP1A2
SCHEMBL19684886 0.86 ALDH1A1 (0.50) ALDH1A1HSP90AA1MAPTCYP2C9CYP1A2
SCHEMBL22176108 0.86 KDM4E (0.48) ALDH1A1HSP90AA1MAPTCYP2C9CYP1A2
SCHEMBL18914159 0.85 MAPT (0.48) ALDH1A1HSP90AA1MAPTCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL22164308 0.85 KDM4E (0.47) ALDH1A1HSP90AA1MAPTCYP2C9CYP1A2
SCHEMBL22176383 0.84 ALDH1A1 (0.50) ALDH1A1HSP90AA1MAPTCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL22164245 0.83 MAPT (0.47) ALDH1A1HSP90AA1MAPTCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL22164206 0.83 ALDH1A1 (0.49) ALDH1A1HSP90AA1MAPTCYP2C9CYP1A2

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-20230069963-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2023-03-09 US disclosed
EP-3903788-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2021-11-03 EP disclosed
WO-2020138015-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND 大正製薬株式会社 2020-07-02 WO 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 ALDH1A1 2801/4885HSP90AA1 4065/4885MAPT 4295/4885

“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.