SCHEMBL658444

SCHEMBL658444

CCCCCc1ccn[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.55
LMNA P02545 1/20 0.55
HRH2 P25021 1/20 0.55
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HCAR2 Q8TDS4 2/20 0.42
HCAR3 P49019 1/20 0.42
GPR84 Q9NQS5 3/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
COMT P21964 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL18649060 0.98 USP2 (0.53) USP2LMNAHRH2CYP1A2CYP3A4
SCHEMBL25530345 0.98 USP2 (0.53) USP2LMNAHRH2CYP1A2CYP3A4
SCHEMBL26432247 0.98 USP2 (0.53) USP2LMNAHRH2CYP1A2CYP3A4
SCHEMBL4629926 0.94
SCHEMBL4222977 0.85
SCHEMBL24566374 0.78 USP2 (0.42) USP2LMNAHRH2CYP1A2CYP3A4
SCHEMBL4711257 0.77
SCHEMBL25421446 0.77
SCHEMBL12988348 0.76 USP2 (0.52) USP2LMNAHRH2CYP1A2CYP3A4
SCHEMBL241536 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082343-A Synthesis method of pyrazolo isoindole derivative 嘉兴学院 2023-05-09 CN claimed
CN-105949200-A Method for synthesizing 5-arylpyrazole [1, 5-alpha] pyrimindine derivatives 重庆医药高等专科学校 2016-09-21 CN claimed
CN-116082343-A Synthesis method of pyrazolo isoindole derivative 嘉兴学院 2023-05-09 CN disclosed
CN-108484503-A A kind of preparation method of aryl substituted pyrazolecarboxylic and its derivative 常州大学 2018-09-04 CN disclosed
CN-108329264-A A kind of 5- aryl -3- phenoxy groups -1- hydrogen-pyrazole compound and preparation method thereof 福州大学 2018-07-27 CN disclosed
CN-106008520-A Synthesis method of 5-arylpyrazolopyrimidine derivatives 重庆医药高等专科学校 2016-10-12 CN disclosed
CN-105949200-A Method for synthesizing 5-arylpyrazole [1, 5-alpha] pyrimindine derivatives 重庆医药高等专科学校 2016-09-21 CN disclosed
CN-105949200-A Method for synthesizing 5-arylpyrazole [1, 5-alpha] pyrimindine derivatives 重庆医药高等专科学校 2016-09-21 CN disclosed
CN-105949200-A Method for synthesizing 5-arylpyrazole [1, 5-alpha] pyrimindine derivatives 重庆医药高等专科学校 2016-09-21 CN disclosed
US-20140315956-A1 SMALL MOLECULE INHIBITORS OF IL-6 AND USES THEREOF NATIONWIDE CHILDREN'S HOSPITAL (US) 2014-10-23 US disclosed
WO-2013019690-A1 SMALL MOLECULE INHIBITORS OF IL-6 AND USES THEREOF THE OHIO STATE UNIVERSITY (US) 2013-02-07 WO disclosed
US-5496956-A BY ESTERIFICATION OF CARBOXY SUBSTITUTION WITH ALCOHOLS IN THE PRESENCE OF MINERAL ACID MONSANTO COMPANY (US) 1996-03-05 US disclosed
US-5489571-A CROP-SAFE COMPOUNDS EFFECTIVE AT LOW CONCENTRATIONS MONSANTO COMPANY (US) 1996-02-06 US disclosed
CN-1030595-C Substituted aryl-haloalkyl-pyrazoles as herbicides MONSANTO CO (US) 1996-01-03 CN disclosed
CN-1090845-A Process for preparing substituted aryl-halogenoalkyl pyrazoles MONSANTO CO (US) 1994-08-17 CN disclosed
US-5281571-A Herbicidal benzoxazinone- and benzothiazinone-substituted pyrazoles MONSANTO COMPANY (US) 1994-01-25 US disclosed
EP-0553307-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1993-08-04 EP disclosed
CN-1061777-A Substituted aryl-haloalkyl-pyrazoles as herbicides MONSANTO CO (US) 1992-06-10 CN disclosed
CN-1061221-A The aryl alkylsulfonyl pyrazoles of the replacement of weeding MONSANTO CO (US) 1992-05-20 CN disclosed
WO-1992006962-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1992-04-30 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-20140315956-A1 SMALL MOLECULE INHIBITORS OF IL-6 AND USES THEREOF IL6, STAT3, JAK2 USP2 3457/4885LMNA 4752/4885HRH2 3783/4885

“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.