SCHEMBL20101545

SCHEMBL20101545

C[Si](C)(C)CCOc1nc(Cl)ncc1Br

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
PIN1 Q13526 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL31533165 1.00 MEN1 (0.34) MEN1KMT2AGAAPIN1ABL1
SCHEMBL2393577 0.81 RXRA (0.38) PIN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2966721 0.79 CDK1 (0.42) MEN1KMT2AGAAPIN1ABL1
SCHEMBL19906958 0.79 MEN1 (0.33) MEN1KMT2AGAAPIN1ABL1
SCHEMBL20101541 0.79 ALDH1A1 (0.42) MEN1KMT2AGAAPIN1KDM4E
SCHEMBL13649024 0.78 MEN1 (0.35) MEN1KMT2AGAAPIN1ABL1
SCHEMBL20101542 0.76 PIN1 (0.51) GAAPIN1KDM4E
SCHEMBL22400986 0.76 CA12 (0.35) MEN1KMT2AGAA
SCHEMBL31533157 0.75 LMNA (0.36) MEN1KMT2AGAAPIN1ALDH1A1
SCHEMBL16318669 0.75 CDK1 (0.35) MEN1KMT2AGAAABL1BCR

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-9988373-B2 Nitrogen-containing six-membered cyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2018-06-05 US disclosed
US-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2018-05-03 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-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S MEN1 382/4885KMT2A 957/4885GAA 3706/4885

“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.