SCHEMBL5416682

SCHEMBL5416682

O=C(O)c1ccc(-c2cnc3c(-c4ccccc4)cnn3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.67
ACVR1 Q04771 2/20 0.58
PRKAB1 Q9Y478 2/20 0.58
TGFBR1 P36897 1/20 0.58
FLT1 P17948 3/20 0.57
FLT4 P35916 3/20 0.57
GAK O14976 1/20 0.57
BMP4 P12644 3/20 0.53
MAP4K4 O95819 1/20 0.52
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
HSP90AA1 P07900 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL13126019 0.86 KDR (0.76) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL3758736 0.86 MAP4K4 (0.57) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL30508296 0.82 KDR (0.66) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL14437843 0.82 KDR (0.68) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL30613542 0.82 KDR (0.44) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL7618521 0.82 KDR (0.77) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL7618559 0.82 KDR (0.77) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL5409152 0.81 POLB (0.62) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL5419072 0.81 ACVR1 (0.68) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL5410640 0.81 KDR (0.60) KDRACVR1PRKAB1TGFBR1FLT1

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-7262199-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262199-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262199-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-20060183755-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-17 US disclosed
WO-2004052286-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-06-24 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-20060183755-A1 Tyrosine kinase inhibitors FLT1, FLT4, KDR KDR 3/4885ACVR1 868/4885PRKAB1 583/4885

“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.