SCHEMBL5838845

SCHEMBL5838845

Cc1cc2cc(Oc3ccnc4cc(-c5cncn5C)sc34)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 9/20 0.36
EGFR P00533 7/20 0.36
MET P08581 3/20 0.36
AXL P30530 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
KDR P35968 7/20 0.36
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
RET P07949 1/20 0.33
IDH1 O75874 1/20 0.33
KIT P10721 1/20 0.32

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
SCHEMBL5838512 0.84 MET (0.48) FLT1EGFRMETAXLKDR
SCHEMBL7120802 0.80 EGFR (0.57) FLT1EGFRKDRKIT
SCHEMBL6677050 0.75 KDR (0.53) FLT1AXLKDR
SCHEMBL5838087 0.74 FLT1 (0.36) FLT1EGFRMETAXLKDR
SCHEMBL18516649 0.74 MET (0.45) METKDR
SCHEMBL6667981 0.73 KDR (0.54) FLT1METAXLKDR
SCHEMBL5839258 0.73 HRH4 (0.42) FLT1EGFRKDR
SCHEMBL307539 0.71 MET (0.44) METKDR
SCHEMBL18516534 0.70 MET (0.40) METKDR
SCHEMBL10288655 0.70 MET (0.45) METKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995171-B2 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AGOURON PHARMACEUTICALS, INC. (US) 2006-02-07 US claimed
US-20040171590-A1 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AUTRY CHRISTOPHER (US) 2004-09-02 US claimed
WO-2003000194-A2 THIENOPYRIDINE AND THIENOPYRIMIDINE ANTICANCER AGENTS PFIZER INC. (US) 2003-01-03 WO claimed
US-6995171-B2 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AGOURON PHARMACEUTICALS, INC. (US) 2006-02-07 US disclosed
US-20040171590-A1 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AUTRY CHRISTOPHER (US) 2004-09-02 US disclosed
WO-2003000194-A2 THIENOPYRIDINE AND THIENOPYRIMIDINE ANTICANCER AGENTS PFIZER INC. (US) 2003-01-03 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-20040171590-A1 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents TK1, TYMP, DPYD FLT1 606/4885EGFR 1625/4885MET 3998/4885

“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.