SCHEMBL16776005

SCHEMBL16776005

O=C(Nc1cnccn1)N1CCCNc2ccc(-c3cccc(N4CCCC4)c3)nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 5/20 0.50
▸ PRKCI P41743 2/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ FAAH O00519 2/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ CAMK2D Q13557 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ DHFR P00374 1/20 0.37
▸ USP2 O75604 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KIT P10721 1/20 0.36
▸ MAPK1 P28482 2/20 0.36

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
SCHEMBL16776027 0.90 KARS1 (0.44) KARS1PRKCISIRT2FAAHABL1
SCHEMBL16776060 0.90 FGFR4 (0.43) KARS1PRKCISIRT2FAAHCAMK2D
SCHEMBL16775997 0.88 RPS6KA2 (0.41) KARS1PRKCIFAAHABL1BCR
SCHEMBL16776171 0.87 KARS1 (0.48) KARS1
SCHEMBL16776074 0.87 KARS1 (0.43) KARS1PRKCISIRT2FAAHABL1
SCHEMBL16776109 0.87 KARS1 (0.38) KARS1PRKCIABL1BCRJAK2
SCHEMBL16776049 0.87 FGFR4 (0.42) KARS1PRKCIABL1CAMK2DJAK2
SCHEMBL16776186 0.87 CYP11B2 (0.41) KARS1SIRT2FAAHABL1BCR
SCHEMBL16775818 0.86 ALOX15 (0.46) KARS1SIRT2FAAHCYP3A4TSHR
SCHEMBL16776096 0.86 USP30 (0.39) KARS1SIRT2CYP1A2CYP3A4MAPK1

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KARS1 1760/4885PRKCI 2015/4885SIRT2 3/4885

“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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