SCHEMBL20209840

SCHEMBL20209840

OCc1cccc(CN2CCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 1/20 0.54
HIF1A Q16665 1/20 0.54
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
SIGMAR1 Q99720 2/20 0.49
NCF1 P14598 1/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
MBTD1 Q05BQ5 1/20 0.45
TP53BP1 Q12888 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45

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
SCHEMBL17594984 0.96 PRMT6 (0.68) PRMT6SMN1; SMN2ALDH1A1TDP1CYP2D6
SCHEMBL3742515 0.94 PRMT6 (0.66) PRMT6SMN1; SMN2ALDH1A1TDP1CYP2D6
SCHEMBL2249512 0.84 NCF1 (0.71) PRMT6SMN1; SMN2ALDH1A1CYP2C9KDM4E
SCHEMBL3742423 0.84 MC4R (0.62) PRMT6ALDH1A1KDM4ESIGMAR1NCF1
SCHEMBL11192726 0.84 PRMT6 (0.78) PRMT6SMN1; SMN2ALDH1A1TDP1CYP2D6
SCHEMBL11339852 0.84 PRMT6 (0.78) PRMT6SMN1; SMN2ALDH1A1TDP1CYP2D6
Hydrochloric Acid SCHEMBL4838680 0.82 SIGMAR1 (0.61) PRMT6TDP1SIGMAR1HRH3
Hydrochloric Acid SCHEMBL27637891 0.82 SIGMAR1 (0.61) PRMT6TDP1SIGMAR1HRH3
SCHEMBL3763705 0.82 ALDH1A1 (0.57) PRMT6SMN1; SMN2ALDH1A1TDP1CYP2D6
SCHEMBL20209838 0.81 PRMT6 (0.62) PRMT6SMN1; SMN2ALDH1A1TDP1CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380593-A1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2021-12-09 US disclosed
US-11117898-B2 Pyrazolo-heteroaryl derivative, preparation method and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-09-14 US disclosed
US-20210115046-A1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-04-22 US disclosed
EP-3546457-A1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-10-02 EP disclosed
CN-108884092-A Pyrazolo-heteroaryl analog derivative, preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2018-11-23 CN disclosed
WO-2018095426-A1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2018-05-31 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 (3 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-20210115046-A1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF TLR7, TLR3, TLR4 PRMT6 4530/4885SMN1; SMN2 4200/4885ALDH1A1 1071/4885
US-11117898-B2 Pyrazolo-heteroaryl derivative, preparation method and medical use thereof TLR7, TLR3, TLR4 PRMT6 4530/4885SMN1; SMN2 4200/4885ALDH1A1 1071/4885
US-20210380593-A1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF TLR7, TLR3, TLR4 PRMT6 4530/4885SMN1; SMN2 4200/4885ALDH1A1 1071/4885

“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.