SCHEMBL19699528

SCHEMBL19699528

CC(C)C(=O)Nc1cc(N2CCOC2=O)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.50
CCNA2 P20248 3/20 0.48
CDK2 P24941 3/20 0.48
CCNA1 P78396 3/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
ACVRL1 P37023 1/20 0.43
TYK2 P29597 1/20 0.41
MAPT P10636 1/20 0.40
GSK3B P49841 1/20 0.40
MMP12 P39900 3/20 0.40
MMP13 P45452 3/20 0.40
NR3C2 P08235 1/20 0.40
MAP4K1 Q92918 2/20 0.39

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
SCHEMBL19706554 0.86 IDH1 (0.48) IDH1CCNA2CDK2CCNA1CCNB2
SCHEMBL19736274 0.83 IDH1 (0.46) IDH1CCNA2CDK2CCNA1CCNB2
SCHEMBL19699523 0.79 MTOR (0.49) MAPTGSK3B
SCHEMBL19699556 0.77 MAPT (0.57) CCNA2CDK2CCNA1ACVRL1TYK2
SCHEMBL19699589 0.72 MAPT (0.45) ACVRL1TYK2MAPTGSK3BNR3C2
SCHEMBL17768222 0.72 CCNC (0.42) IDH1MMP12MMP13KDM1AMAOA
SCHEMBL19699529 0.71 TYK2 (0.45) ACVRL1TYK2MAPTGSK3BNR3C2
SCHEMBL23445931 0.70 TYK2 (0.56) ACVRL1TYK2MAPTGSK3BMAP4K1
SCHEMBL19699534 0.69 MAPT (0.59) TYK2MAPT
SCHEMBL19728666 0.69 TYK2 (0.53) ACVRL1TYK2MAPTGSK3BMAP4K1

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH1 246/4885CCNA2 2178/4885CDK2 682/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH1 234/4885CCNA2 2051/4885CDK2 647/4885

“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.