SCHEMBL16776300

SCHEMBL16776300

C=C(Nc1cccc(-c2cnco2)n1)N1c2nc(-c3cccc(C)c3)ccc2N2CCC1CC2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 3/20 0.34
▸ IMPDH2 P12268 8/20 0.33
▸ BRAF P15056 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ CREBBP Q92793 2/20 0.32
▸ MAP3K5 Q99683 1/20 0.31
▸ IMPDH1 P20839 1/20 0.31
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL16775780 0.91 IMPDH2 (0.37) KARS1IMPDH2BRAFHTR1AWNT1
SCHEMBL16776301 0.89 GSK3B (0.39) KARS1IMPDH2BRAFWNT1GSK3B
SCHEMBL20631481 0.82 GAA (0.38) KARS1DYRK1ACDK5CDK5R1
SCHEMBL20632784 0.82 KARS1 (0.38) KARS1GSK3BDYRK1AMAP3K5RAB9A
SCHEMBL20632380 0.82 USP2 (0.36) BRD4CREBBP
SCHEMBL20631665 0.80 SLC9A1 (0.35) KARS1CDK5CDK5R1
SCHEMBL17618330 0.80 IMPDH2 (0.45) IMPDH2BRAFBRD4CREBBPIMPDH1
SCHEMBL19699090 0.80 DYRK1A (0.42) KARS1IMPDH2BRAFWNT1GSK3B
SCHEMBL16249976 0.79 RHOA (0.39) BRAFHTR1AWNT1GSK3BDYRK1A
SCHEMBL20633048 0.77 PRMT5 (0.39) KARS1HTR1AGSK3BDYRK1AMAP3K5

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 1 patent. 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

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 1760/4885IMPDH2 1200/4885BRAF 3419/4885

“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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