SCHEMBL5405900

SCHEMBL5405900

Brc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.72
PRKAB1 Q9Y478 3/20 0.62
ACVR1 Q04771 2/20 0.62
TGFBR1 P36897 1/20 0.62
FLT1 P17948 3/20 0.61
FLT4 P35916 3/20 0.61
GAK O14976 1/20 0.61
BMP4 P12644 3/20 0.56
PRKAB2 O43741 2/20 0.54
PRKAG1 P54619 2/20 0.54
PRKAA2 P54646 2/20 0.54
PRKAA1 Q13131 2/20 0.54
PRKAG3 Q9UGI9 2/20 0.54
PRKAG2 Q9UGJ0 2/20 0.54
KMT2A Q03164 1/20 0.51

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
SCHEMBL14424408 0.91 KDR (0.85) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL7618559 0.85 KDR (0.77) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL7618521 0.85 KDR (0.77) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL5419064 0.84 KDR (0.61) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL7610636 0.84 KDR (1.00) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL14437843 0.83 KDR (0.68) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL5410390 0.82 KDR (0.67) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL7610618 0.82 KDR (1.00) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL5416682 0.82 KDR (0.67) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL23989007 0.80 KDR (0.65) KDRPRKAB1ACVR1TGFBR1FLT1

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 3/4885PRKAB1 583/4885ACVR1 868/4885

“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.