SCHEMBL2219082

SCHEMBL2219082

NS(=O)(=O)C(c1ccccc1)c1ccc2[nH]cnc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.38
CDK2 P24941 4/20 0.36
CCNT1 O60563 3/20 0.36
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CDK9 P50750 3/20 0.36
CDK7 P50613 2/20 0.36
CCNH P51946 2/20 0.36
SLC2A1 P11166 1/20 0.35
CTSA P10619 2/20 0.35
ALDH1A1 P00352 3/20 0.33
AKT2 P31751 1/20 0.33
HSD17B10 Q99714 4/20 0.31
KDM4E B2RXH2 3/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2192510 0.76 CTSA (0.39) MAPK14CDK2SLC2A1CTSAALDH1A1
SCHEMBL2192291 0.76 SLC2A1 (0.48) MAPK14CDK2SLC2A1CTSAALDH1A1
SCHEMBL2188610 0.75 MAPK14 (0.39) MAPK14CDK2SLC2A1CTSAALDH1A1
SCHEMBL2217811 0.72 CTSA (0.39) MAPK14CDK2SLC2A1CTSAHSD17B10
SCHEMBL14247763 0.68 SLC6A2 (0.53) ALDH1A1KDM4ETSHRLMNACYP1A2
SCHEMBL3637962 0.68 CYP2C19 (0.48) ALDH1A1DPP4CYP2C19
SCHEMBL14032681 0.68 ALDH1A1 (0.40) MAPK14CDK2CCNT1CDK1CCNB1
SCHEMBL10441591 0.65 ALDH1A1 (0.39) MAPK14CDK2CDK1CCNB1CTSA
SCHEMBL30230728 0.62 ALDH1A1 (0.36) MAPK14CDK2CDK1CCNB1SLC2A1
SCHEMBL21988476 0.62 NPC1 (0.46) ALDH1A1HSD17B10KDM4ETSHRHTT

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 MAPK14 3207/4885CDK2 12/4885CCNT1 116/4885

“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.