SCHEMBL13708161

SCHEMBL13708161

O=C(Nc1c(Cl)cccc1Cl)c1cc2cnc3[nH]ccc3c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
DHPS P49366 7/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
LCK P06239 7/20 0.41
MAPK14 Q16539 5/20 0.40
MAPK13 O15264 2/20 0.40
EGFR P00533 2/20 0.40
FYN P06241 2/20 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
SCHEMBL4463894 0.83 MAPT (0.58) DHPSHDAC1EGFRKDM4ENPC1
SCHEMBL4474972 0.78 SLC22A12 (0.39) DHPSJAK3KDM4ENPC1MAPT
SCHEMBL4462963 0.75 ALDH1A1 (0.44) JAK2JAK1TYK2SRCJAK3
SCHEMBL13711491 0.74 MAP3K20 (0.42) JAK2MAPK14EGFRKDM4ENPC1
SCHEMBL13708151 0.74 MAPT (0.52) LCKEGFRKDM4EMAPT
SCHEMBL13708162 0.74 ESR1 (0.52) LCKMAPTRAB9A
SCHEMBL13711494 0.74 MAP3K20 (0.42) JAK2DHPSMAPK14EGFRKDM4E
SCHEMBL13708159 0.72 MAPT (0.53) JAK2JAK1TYK2HDAC8HDAC6
SCHEMBL4466328 0.72 MLYCD (0.48) HDAC3HDAC1HDAC2HDAC6MAPK14
SCHEMBL13711543 0.70 MAP3K20 (0.44) LCKMAPK14EGFRKDM4ENPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US disclosed
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 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-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors AURKC, PTK2B, FRK JAK2 129/4885JAK1 124/4885TYK2 29/4885

“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.