SCHEMBL2219084

SCHEMBL2219084

O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]cnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
CYP19A1 P11511 2/20 0.49
GLO1 Q04760 1/20 0.47
AR P10275 1/20 0.42
KMT2A Q03164 2/20 0.41
BRD4 O60885 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL21295271 0.77 CYP1A2 (0.50) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL2192514 0.75 NAMPT (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL13256589 0.72 CDK2 (0.60) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL9684691 0.68 KDM4E (0.65) KDM4EALDH1A1HPGDGLO1AR
SCHEMBL1998243 0.67 ALDH1A1 (0.37) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL6365958 0.67 KDM4E (0.54) KDM4EALDH1A1HPGDCYP19A1GLO1
SCHEMBL1998246 0.67 ALDH1A1 (0.37) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL22533985 0.67 CDK2 (0.49) HPGDKMT2AMEN1HTT
SCHEMBL29424829 0.67 CDK2 (0.49) HPGDKMT2AMEN1HTT
SCHEMBL2188602 0.67 CTSA (0.48) HPGDKMT2AMEN1GAASMN1; SMN2

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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 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 (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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 KDM4E 933/4885ALDH1A1 651/4885HPGD 457/4885

“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.