SCHEMBL3947679

SCHEMBL3947679

COC(=O)c1nc(C)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.53
NPSR1 Q6W5P4 1/20 0.50
S1PR4 O95977 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
XDH P47989 1/20 0.44
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LCK P06239 2/20 0.41
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL3947135 0.90 GRM5 (0.46) GRM5NPSR1S1PR4KDM4EALDH1A1
SCHEMBL16030718 0.83 NPSR1 (0.48) GRM5NPSR1S1PR4KDM4EALDH1A1
SCHEMBL2372967 0.82 NPSR1 (0.52) GRM5NPSR1S1PR4KDM4EALDH1A1
SCHEMBL388845 0.81 NPSR1 (0.50) NPSR1KDM4EALDH1A1CA12CA1
SCHEMBL26140305 0.81 NPSR1 (0.50) NPSR1KDM4EALDH1A1CA12CA1
SCHEMBL10665321 0.81 NPSR1 (0.50) NPSR1S1PR4KDM4EALDH1A1CA12
SCHEMBL29829085 0.81 NPSR1 (0.50) NPSR1KDM4EALDH1A1CA12CA1
SCHEMBL24344299 0.79 NPSR1 (0.48) NPSR1KDM4EALDH1A1CA12CA1
SCHEMBL20745210 0.79 NPSR1 (0.48) NPSR1KDM4EALDH1A1CA12CA1
SCHEMBL29625298 0.79 NPSR1 (0.48) NPSR1KDM4EALDH1A1CA12CA1

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 10 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
CN-113573708-A Polyvalent derivatives of emoxidine 阿尔萨泰克公司 2021-10-29 CN disclosed
EP-3255042-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME BEYONDBIO INC (KR) 2020-12-30 EP disclosed
WO-2020163704-A1 POLYVALENT DERIVATIVES OF EMOXYPINE ALSATECH, INC. (US) 2020-08-13 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
WO-2019074898-A1 DISAGGREGATION OF ALPHA-SYNUCLEIN WITH SMALL MOLECULES ALSATECH, INC. (US) 2019-04-18 WO disclosed
WO-2019074898-A1 DISAGGREGATION OF ALPHA-SYNUCLEIN WITH SMALL MOLECULES ALSATECH, INC. (US) 2019-04-18 WO disclosed
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 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 (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-20230069963-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND ZC3HAV1, ZC3HAV1L, IL5 GRM5 882/4885NPSR1 3111/4885S1PR4 121/4885
US-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 GRM5 319/4885NPSR1 529/4885S1PR4 549/4885

“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.