SCHEMBL21325659

SCHEMBL21325659

O=C(Cc1cccnc1)Nc1nnc(C2CCCC2)s1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 14/20 0.67
▸ RECQL P46063 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ PKM P14618 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ RAB9A P51151 1/20 0.55

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
SCHEMBL15725087 0.96 GLS (0.74) GLSRECQLALDH1A1MEN1KMT2A
SCHEMBL17177128 0.96 GLS (0.74) GLSRECQLALDH1A1MEN1KMT2A
SCHEMBL16887441 0.95 GLS (0.69) GLSRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL15725008 0.93 GLS (0.78) GLSRECQLALDH1A1SMN1; SMN2PKM
SCHEMBL15725094 0.93 GLS (0.78) GLSRECQLALDH1A1SMN1; SMN2PKM
SCHEMBL17172606 0.93 GLS (0.80) GLSRECQLALDH1A1MEN1KMT2A
SCHEMBL15725064 0.91 GLS (0.77) GLSMEN1KMT2ASMN1; SMN2PKM
SCHEMBL17172578 0.91 GLS (0.84) GLSRECQLALDH1A1
SCHEMBL17172609 0.91 GLS (0.84) GLSRECQLALDH1A1
SCHEMBL17172598 0.88 GLS (0.83) GLSKMT2A

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-10676471-B2 Cycloalkyl-linked diheterocycle derivatives PFIZER INC. (US) 2020-06-09 — — US 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 564/4885ALDH1A1 2190/4885
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 564/4885ALDH1A1 2190/4885

“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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