SCHEMBL16776212

SCHEMBL16776212

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccc4nn(C)cc4c2)CCCN3)ccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ MAOA P21397 3/20 0.35
▸ MAOB P27338 3/20 0.35
▸ MET P08581 1/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.34
▸ MLLT1 Q03111 1/20 0.34
▸ MAT2A P31153 2/20 0.34
▸ WNT3A P56704 2/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ TP53 P04637 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
SCHEMBL16775915 0.89 NOTUM (0.40) NOTUMKDM4EMAOAMAOBIRAK4
SCHEMBL16776211 0.86 RPS6KA3 (0.43) WNT3ARPS6KA3ABL1
SCHEMBL19670571 0.83 NOTUM (0.39) NOTUMKDM4ECCNT1CDK9MAOA
SCHEMBL16776226 0.81 HTR2C (0.45) RPS6KA3ABL1BCR
SCHEMBL16776025 0.79 CYP11B2 (0.38) WNT3A
SCHEMBL16776013 0.79 FGFR4 (0.44) WNT3ARPS6KA3
SCHEMBL16776016 0.78 WNT3A (0.40) WNT3AABL1
SCHEMBL16776216 0.77 ABL1 (0.34) WNT3ARPS6KA3ABL1
SCHEMBL16776210 0.77 BRAF (0.42) WNT3ARPS6KA3
SCHEMBL16775868 0.76 CA2 (0.43) KDM4EABL1BCR

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 NOTUM 3260/4885KDM4E 950/4885CCNT1 1953/4885

“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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