SCHEMBL7125076

SCHEMBL7125076

CN(C)c1ccc(Nc2ccc(Nc3ncnc4cc(-c5ccccc5)sc34)cc2)cc1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.98
FLT1 P17948 10/20 0.98
KDR P35968 2/20 0.60
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
NPC1 O15118 1/20 0.49
NCOA1 Q15788 1/20 0.49

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
SCHEMBL7126197 0.99 EGFR (1.00) EGFRFLT1KDRTUBB4ATUBB
SCHEMBL7126897 0.89 FLT1 (1.00) EGFRFLT1KDRTUBB4ATUBB
SCHEMBL7119409 0.87 FLT1 (0.85) EGFRFLT1KDRTUBB4ATUBB
SCHEMBL13434839 0.86 FLT1 (0.94) EGFRFLT1KDRTUBB4ATUBB
SCHEMBL27521104 0.85 FLT1 (0.83) EGFRFLT1KDRTUBB4ATUBB
SCHEMBL7116894 0.85 FLT1 (1.00) EGFRFLT1KDRTUBB4ATUBB
SCHEMBL7127028 0.84 FLT1 (0.85) EGFRFLT1KDRTUBB4ATUBB
SCHEMBL7123725 0.84 FLT1 (0.85) EGFRFLT1KDRTUBB4ATUBB
SCHEMBL7127078 0.84 FLT1 (0.85) EGFRFLT1KDRTUBB4ATUBB
SCHEMBL7123651 0.84 FLT1 (0.84) EGFRFLT1KDRTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2003-08-28 US claimed
US-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2003-08-28 US disclosed
US-6492383-B1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2002-12-10 US disclosed
EP-1028964-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2000-08-23 EP disclosed
WO-1999024440-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-05-20 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-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents TYMP, DPYD, HPRT1 EGFR 2961/4885FLT1 1043/4885KDR 2362/4885

“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.