SCHEMBL13063686

SCHEMBL13063686

Cc1nc2c(s1)CCCCCCCCCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
PDK1 Q15118 3/20 0.55
FBP1 P09467 2/20 0.52
ADRA2A P08913 4/20 0.44
ADRA2B P18089 4/20 0.44
ADRA2C P18825 4/20 0.44
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 3/20 0.42
PKM P14618 3/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NFKB1 P19838 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL24869474 1.00 APOBEC3A (0.57) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
SCHEMBL12344114 1.00 APOBEC3A (0.57) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
SCHEMBL11772242 1.00 APOBEC3A (0.57) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
SCHEMBL171200 0.98 PDK1 (0.54) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
SCHEMBL2666128 0.93
SCHEMBL7325816 0.76 APOBEC3A (0.61) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
SCHEMBL17339864 0.76 NPC1 (0.34) APOBEC3AAPOBEC3GPDK1FBP1NPC1
SCHEMBL17339862 0.76 PDE10A (0.35) APOBEC3AAPOBEC3GPDK1FBP1NPC1
SCHEMBL10965367 0.74 APOBEC3A (0.59) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
SCHEMBL17028600 0.74 APOBEC3A (0.59) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A

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-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 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-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 APOBEC3A 3608/4885APOBEC3G 3650/4885PDK1 725/4885

“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.