SCHEMBL4063983

SCHEMBL4063983

OC1CCCc2ccc(Br)nc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NR3C1 P04150 1/20 0.32
KCNH2 Q12809 1/20 0.32
BRD3 Q15059 1/20 0.32
GRM5 P41594 3/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL30484404 1.00 ACHE (0.38) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL21332750 0.89 ACHE (0.30) ACHE
SCHEMBL29482705 0.89 ACHE (0.30) ACHE
SCHEMBL5117771 0.80
SCHEMBL10286327 0.80 ACHE (0.39) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL868218 0.79 ACHE (0.41) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL10287316 0.79 ACHE (0.41) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL14884981 0.79 ACHE (0.38) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL5111399 0.79 ACHE (0.38) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL10287367 0.79 ACHE (0.38) ACHECYP1A2CYP2C9TSHRALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142748-B Pyrazolopyrimidine compound, and preparation method and application thereof 上海医药集团股份有限公司 2023-07-04 CN disclosed
US-20220324868-A1 Pyrazolone-Fused Pyrimidine Compound, and Preparation Method and Use Therefor SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-10-13 US disclosed
EP-4008719-A2 PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2022-06-08 EP disclosed
EP-4008719-A2 PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2022-06-08 EP disclosed
WO-2020259724-A2 PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR 上海医药集团股份有限公司 2020-12-30 WO disclosed
CN-112142748-A Pyrazolone pyrimidine compound, preparation method and application thereof 上海医药集团股份有限公司 2020-12-29 CN disclosed
CN-105884752-B And ring class gyrase and topoisomerase I V inhibitor 山东轩竹医药科技有限公司 2018-08-31 CN disclosed
WO-2013139822-A1 NOVEL BISOXIME MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-09-26 WO disclosed
WO-2013139822-A1 NOVEL BISOXIME MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-09-26 WO disclosed
EP-2641901-A1 Novel microbiocides Syngenta Participations AG. (CH) 2013-09-25 EP disclosed
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
CN-1457339-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-19 CN disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (4 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-20220324868-A1 Pyrazolone-Fused Pyrimidine Compound, and Preparation Method and Use Therefor WEE1, WEE2, WASF2 ACHE 3967/4885CYP1A2 2801/4885CYP2C9 2702/4885
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 ACHE 4621/4885CYP1A2 4059/4885CYP2C9 3422/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 ACHE 4621/4885CYP1A2 4107/4885CYP2C9 3558/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 ACHE 4621/4885CYP1A2 4059/4885CYP2C9 3422/4885

“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.