SCHEMBL22492845

SCHEMBL22492845

Cc1c(OCCCNC(=O)OC(C)(C)C)nn(C)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
BRD4 O60885 3/20 0.44
SUCNR1 Q9BXA5 1/20 0.44
IDO1 P14902 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
FAAH O00519 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
DRD2 P14416 1/20 0.41

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
SCHEMBL22492777 0.85 CA12 (0.45) BRD4SUCNR1CA12CA1CA2
SCHEMBL22510561 0.79 HTR1B (0.46)
SCHEMBL5411566 0.74 FAAH (0.49) CKS1BSKP1SKP2FAAHMAPT
SCHEMBL27539138 0.74 ESR1 (0.52) CKS1BSKP1SKP2BRD4MAPT
SCHEMBL8375518 0.74 GABRA5 (0.46) CKS1BSKP1SKP2SUCNR1IDO1
SCHEMBL24920672 0.74 CA12 (0.67) SUCNR1IDO1CA12CA1CA2
SCHEMBL22492844 0.73 GRM5 (0.43) FAAH
Hydrochloric Acid SCHEMBL22492776 0.73 HRH3 (0.36)
SCHEMBL15037007 0.71 CA12 (0.55) CKS1BSKP1SKP2SUCNR1IDO1
SCHEMBL24192494 0.71 CA12 (0.46) BRD4CA12CA1CA2CA9

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-11457628-B2 Substituted pyrimidine compound and preparation method and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2022-10-04 US disclosed
US-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-01-21 US disclosed
US-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-01-21 US disclosed
EP-3719015-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2020-10-07 EP disclosed
EP-3719015-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2020-10-07 EP disclosed
CN-111263757-A Substituted pyrimidine compound and preparation method and application thereof 沈阳中化农药化工研发有限公司 2020-06-09 CN 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-11457628-B2 Substituted pyrimidine compound and preparation method and use thereof GART, BROX, APRT CKS1B 1166/4885SKP1 683/4885SKP2 1005/4885
US-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF GART, BROX, APRT CKS1B 1166/4885SKP1 683/4885SKP2 1005/4885

“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.