SCHEMBL21325757

SCHEMBL21325757

O=C(Cc1ccccc1)Nc1nnc(C2CCCC2)s1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLS O94925 10/20 0.86
RECQL P46063 1/20 0.71
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 1/20 0.70
CCNE1 P24864 3/20 0.66
CDK2 P24941 3/20 0.66
CDK5 Q00535 3/20 0.66
CDK5R1 Q15078 1/20 0.62
PKM P14618 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL20392483 0.99 GLS (0.84) GLSRECQLKMT2AMEN1ALDH1A1
SCHEMBL16887444 0.95 GLS (0.90) GLSRECQLKMT2AMEN1ALDH1A1
SCHEMBL15724974 0.93 GLS (1.00) GLSRECQLKMT2AMEN1ALDH1A1
SCHEMBL15724979 0.93 GLS (1.00) GLSRECQLKMT2AMEN1ALDH1A1
SCHEMBL15725006 0.93 GLS (1.00) GLSRECQLKMT2AMEN1ALDH1A1
SCHEMBL17172576 0.93 GLS (1.00) GLSRECQLKMT2AMEN1ALDH1A1
SCHEMBL15724980 0.93 GLS (1.00) GLSRECQLKMT2AMEN1ALDH1A1
SCHEMBL15724986 0.90 GLS (1.00) GLSRECQLKMT2APKMSMN1; SMN2
SCHEMBL15724994 0.90 GLS (1.00) GLSRECQLKMT2APKMSMN1; SMN2
SCHEMBL15724989 0.90 GLS (1.00) GLSRECQLKMT2APKMSMN1; SMN2

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-10676471-B2 Cycloalkyl-linked diheterocycle derivatives PFIZER INC. (US) 2020-06-09 US disclosed
EP-3556757-A1 CYCLOALKYL-LINKED DIHETEROCYCLE DERIVATIVES Pfizer Inc (US) 2019-10-23 EP disclosed
US-20190270737-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2019-09-05 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 (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-20190270737-A1 Cycloalkyl-Linked Diheterocycle Derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 GLS 550/4885RECQL 564/4885KMT2A 3638/4885
US-10676471-B2 Cycloalkyl-linked diheterocycle derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 GLS 550/4885RECQL 564/4885KMT2A 3638/4885

“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.