SCHEMBL22152005

SCHEMBL22152005

CC(=O)OCCCn1cc(CC#N)c2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KRAS P01116 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PRPS1 P60891 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MCL1 Q07820 4/20 0.35
▸ CNR2 P34972 4/20 0.35
▸ CNR1 P21554 3/20 0.35
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.33
▸ TBXAS1 P24557 1/20 0.33

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
SCHEMBL4986908 0.84 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL22152483 0.81 ALDH1A1 (0.44) ALDH1A1RXFP1PRPS1SMN1; SMN2KDM4E
SCHEMBL28206718 0.78 KRAS (0.44) KRASSMN1; SMN2CNR2CNR1CSNK2A1
SCHEMBL26675684 0.73 CSNK2A1 (0.40) KRASSMN1; SMN2CNR2CNR1CSNK2A1
SCHEMBL26673741 0.73 CSNK2A1 (0.43) KRASSMN1; SMN2CSNK2A1
SCHEMBL13131411 0.73 HTR6 (0.40) ALDH1A1PRPS1SMN1; SMN2MCL1CNR2
SCHEMBL22122356 0.71 KRAS (0.41) KRASSMN1; SMN2CSNK2A1TBXAS1
SCHEMBL22122430 0.71 ALDH1A1 (0.43) ALDH1A1RXFP1PRPS1CNR2CNR1
SCHEMBL29352824 0.70 L3MBTL1 (0.45) KRASSMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL15777230 0.70 L3MBTL1 (0.45) KRASSMN1; SMN2CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 — — US disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 — — 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-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 4539/4885KRAS 1/4885RXFP1 4585/4885

“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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