SCHEMBL7127876

SCHEMBL7127876

COc1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.61
FLT1 P17948 8/20 0.58
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52

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
SCHEMBL5316078 0.88 KDM4E (0.70) EGFRFLT1KDM4EMAPTPOLB
SCHEMBL7119481 0.83 FLT1 (0.80) EGFRFLT1KDM4EMAPTKMT2A
SCHEMBL14776841 0.83 FLT1 (0.72) EGFRFLT1KMT2AMEN1TUBB4A
SCHEMBL24466944 0.82 EGFR (0.72) EGFRFLT1KDM4EMAPTPOLB
SCHEMBL7116857 0.80 FLT1 (0.78) EGFRFLT1KDM4EMAPTKMT2A
SCHEMBL7129287 0.79 FLT1 (0.76) EGFRFLT1TUBB4ATUBBTUBA3C
SCHEMBL7126443 0.77 EGFR (0.77) EGFRFLT1KDM4EMAPTKMT2A
SCHEMBL3932470 0.77 EGFR (0.59) EGFRFLT1KDM4EMAPTPOLB
SCHEMBL7130118 0.77 EGFR (0.74) EGFRFLT1KDM4EMAPTPOLB
SCHEMBL7118626 0.76 FLT1 (0.72) EGFRFLT1POLBTUBB4ATUBB

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 7 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
EP-1028964-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2000-08-23 EP claimed
WO-1999024440-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-05-20 WO 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 1043/4885KDM4E 3560/4885

“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.