SCHEMBL5849832

SCHEMBL5849832

Clc1cc2ncncc2s1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.33
CYP2A6 P11509 1/20 0.33
RPS6KA5 O75582 3/20 0.32
RPS6KA4 O75676 1/20 0.32
AXL P30530 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
FGFR4 P22455 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
SCHEMBL2799370 0.77 MAP3K8 (0.36) EGFR
SCHEMBL20659870 0.75 EGFR (0.33) EGFR
SCHEMBL14438001 0.75 EGFR (0.34) EGFR
SCHEMBL25059512 0.71 SELE (0.39) EGFRCYP2A6
SCHEMBL15935259 0.71 MEN1 (0.42) EGFR
SCHEMBL29805713 0.71 CYP2A6 (0.50) EGFRCYP2A6
SCHEMBL18237484 0.71 ALOX5 (0.33) EGFR
SCHEMBL27617985 0.71 CYP2A6 (0.50) EGFRCYP2A6
SCHEMBL20677060 0.69 AURKA (0.45)
SCHEMBL15319398 0.68 ICAM1 (0.55) MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 EGFR 4335/4885CYP2A6 627/4885RPS6KA5 613/4885

“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.