SCHEMBL3980685

SCHEMBL3980685

N#Cc1cc2c(Cl)ncnc2s1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.51
VCAM1 P19320 1/20 0.51
PIP4K2A P48426 2/20 0.46
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDR P35968 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6483330 0.82 SELE (0.51) SELEVCAM1PIP4K2AHDAC3HDAC1
SCHEMBL2838236 0.79 PIP4K2A (0.46) PIP4K2AKDR
SCHEMBL654782 0.72 SELE (0.56) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL1368716 0.72 SELE (0.61) SELEVCAM1PIP4K2AHDAC3HDAC1
SCHEMBL30408920 0.72 SELE (0.56) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL6484704 0.72 SELE (0.56) SELEVCAM1PIP4K2AHDAC3HDAC1
SCHEMBL6829304 0.71 EGFR (0.48) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL2878495 0.71 NPC1 (0.43) SELEVCAM1KDRPDE4APDE4B
SCHEMBL7053747 0.70 LMNA (0.32) PIP4K2AKDR
SCHEMBL15628663 0.68 SELE (0.56) SELEVCAM1PIP4K2AHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 US disclosed
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 WO 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 SELE 3856/4885VCAM1 4352/4885PIP4K2A 203/4885

“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.