SCHEMBL25144807

SCHEMBL25144807

COc1cc(-c2cccc(C(C)C)c2N)ccn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 3/20 0.43
TGFBR2 P37173 3/20 0.43
NLRP3 Q96P20 1/20 0.43
IDO1 P14902 1/20 0.43
DYRK1A Q13627 1/20 0.40
AAK1 Q2M2I8 3/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
MTOR P42345 1/20 0.38
GRM5 P41594 2/20 0.38
GRM1 Q13255 2/20 0.38
LRRK2 Q5S007 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
SCHEMBL22827545 0.84 PDCD1 (0.47) ACVR2ATGFBR2NLRP3IDO1DYRK1A
SCHEMBL24478079 0.84 ACVR2A (0.44) ACVR2ATGFBR2NLRP3IDO1DYRK1A
SCHEMBL22827688 0.83 ACVR2A (0.43) ACVR2ATGFBR2NLRP3IDO1DYRK1A
SCHEMBL23063148 0.83 NLRP3 (0.45) ACVR2ATGFBR2NLRP3IDO1DYRK1A
SCHEMBL25203368 0.81 PDCD1 (0.43) ACVR2ATGFBR2IDO1DYRK1APDCD1
SCHEMBL20609796 0.81 NLRP3 (0.48) ACVR2ATGFBR2NLRP3IDO1DYRK1A
SCHEMBL29927552 0.81 NLRP3 (0.48) ACVR2ATGFBR2NLRP3IDO1DYRK1A
SCHEMBL22014327 0.81 NLRP3 (0.42) ACVR2ATGFBR2NLRP3IDO1DYRK1A
SCHEMBL20876023 0.80 NLRP3 (0.49) ACVR2ATGFBR2NLRP3IDO1DYRK1A
SCHEMBL25793853 0.78 AAK1 (0.40) ACVR2ATGFBR2NLRP3IDO1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219920-A1 DIMETHYLSULFOXIMINE DERIVATIVE CISEN PHARMACEUTICAL CO., LTD (CN) 2023-07-13 US disclosed
US-20230219920-A1 DIMETHYLSULFOXIMINE DERIVATIVE CISEN PHARMACEUTICAL CO., LTD (CN) 2023-07-13 US disclosed
EP-4166541-A1 DIMETHYLSULFOXIMINE DERIVATIVE Medshine Discovery Inc. (CN) 2023-04-19 EP 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-20230219920-A1 DIMETHYLSULFOXIMINE DERIVATIVE SRM, STS, SMS ACVR2A 4455/4885TGFBR2 2838/4885NLRP3 4865/4885

“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.