SCHEMBL6495650

SCHEMBL6495650

C#Cc1cc2c(F)ncnc2s1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
PIP4K2A P48426 1/20 0.32
MRGPRX1 Q96LB2 1/20 0.31
SELE P16581 1/20 0.30
VCAM1 P19320 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 0.79 SELE (0.51) EGFRPIP4K2ASELEVCAM1
SCHEMBL1163972 0.69 EGFR (0.64) EGFRPIP4K2A
SCHEMBL2878910 0.57 NPC1 (0.43) SELEVCAM1
SCHEMBL1914194 0.57 HDAC8 (0.32)
SCHEMBL20221148 0.54 HDAC8 (0.30)
SCHEMBL18873199 0.53 KDM4E (0.35)
SCHEMBL22337684 0.52 PI4KA (0.57)
SCHEMBL14275170 0.52 GPR35 (0.34)
SCHEMBL14870775 0.51
SCHEMBL15482983 0.51

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 EGFR 20/4885PIP4K2A 49/4885MRGPRX1 3653/4885

“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.