SCHEMBL24450389

SCHEMBL24450389

N#CCCc1ccc[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.48
▸ CHEK1 O14757 2/20 0.45
▸ CDK2 P24941 1/20 0.43
▸ DAO P14920 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ INCENP Q9NQS7 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NAPRT Q6XQN6 1/20 0.36
▸ PARP1 P09874 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ THRB P10828 1/20 0.31

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
SCHEMBL5767073 0.81 MCL1 (0.52) MCL1CHEK1CDK2DAOAURKA
SCHEMBL9234355 0.76 DAO (0.45) MCL1CHEK1DAOAURKAAURKB
SCHEMBL5404670 0.75 AURKA (0.48) MCL1CHEK1DAOAURKAAURKB
SCHEMBL27088907 0.75 DAO (0.48) MCL1CHEK1DAOAURKAAURKB
SCHEMBL174911 0.75 KDM4E (0.44) MCL1DAOAURKAAURKBINCENP
SCHEMBL16759805 0.75 DAO (0.43) MCL1CHEK1DAOAURKAAURKB
SCHEMBL9752756 0.75 DAO (0.43) MCL1CHEK1DAOAURKAAURKB
SCHEMBL9752575 0.73 DAO (0.42) MCL1CHEK1DAOAURKAAURKB
SCHEMBL16056897 0.73 CYP3A4 (0.41) MCL1CHEK1DAOAURKAAURKB
SCHEMBL8764227 0.73 MEN1 (0.52) MEN1KMT2AEGFRFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-05-26 — — US 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-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL MCL1 809/4885CHEK1 721/4885CDK2 136/4885

“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.

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