SCHEMBL6483330

SCHEMBL6483330

C#Cc1cc2c(Cl)ncnc2s1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.51
VCAM1 P19320 1/20 0.51
EGFR P00533 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PIP4K2A P48426 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL3980685 0.82 SELE (0.51) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL6495650 0.79 EGFR (0.39) SELEVCAM1EGFRPIP4K2A
SCHEMBL30408920 0.72 SELE (0.56) SELEVCAM1EGFRHDAC3HDAC1
SCHEMBL6484704 0.72 SELE (0.56) SELEVCAM1EGFRHDAC3HDAC1
SCHEMBL654782 0.72 SELE (0.56) SELEVCAM1EGFRHDAC3HDAC1
SCHEMBL1368716 0.72 SELE (0.61) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL6829304 0.71 EGFR (0.48) SELEVCAM1EGFRHDAC3HDAC1
SCHEMBL2878910 0.71 NPC1 (0.43) SELEVCAM1PDE4APDE4BPDE4C
SCHEMBL1163972 0.69 EGFR (0.64) EGFRHDAC3HDAC1HDAC6PIP4K2A
SCHEMBL10325118 0.68 SELE (0.51) SELEVCAM1EGFRHDAC3HDAC1

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-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 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-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors ERBB2, ERBB4, ERBB3 SELE 4102/4885VCAM1 4288/4885EGFR 20/4885

“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.