SCHEMBL7124474

SCHEMBL7124474

COc1ccc(Nc2ccc(Nc3ncnc4cc(Br)sc34)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
GRM1 Q13255 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
FLT1 P17948 2/20 0.56
EGFR P00533 8/20 0.56
LCK P06239 2/20 0.54
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CLK1 P49759 1/20 0.50
DYRK1A Q13627 2/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 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
SCHEMBL5334233 0.87 EGFR (0.53) MAPTGRM1HDAC3HDAC1HDAC6
SCHEMBL14777496 0.85 EGFR (0.60) HDAC3HDAC1HDAC6FLT1EGFR
SCHEMBL7126443 0.84 EGFR (0.77) MAPTGRM1HDAC3HDAC1HDAC6
SCHEMBL5312405 0.82 NPC1 (0.53) MAPTHDAC3HDAC1HDAC6FLT1
SCHEMBL14777547 0.82 EGFR (0.49) HDAC3HDAC1HDAC6FLT1EGFR
SCHEMBL14777454 0.81 HDAC3 (0.51) HDAC3HDAC1HDAC6FLT1EGFR
SCHEMBL7119481 0.81 FLT1 (0.80) MAPTFLT1EGFRNPC1RAB9A
SCHEMBL5335568 0.80 EGFR (0.46) MAPTGRM1HDAC3HDAC1HDAC6
SCHEMBL7126964 0.80 EGFR (0.71) MAPTGRM1HDAC3HDAC1HDAC6
SCHEMBL7127015 0.78 EGFR (0.66) MAPTGRM1HDAC3HDAC1HDAC6

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 MAPT 3791/4885GRM1 2681/4885HDAC3 3476/4885

“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.