SCHEMBL5339727

SCHEMBL5339727

N#Cc1cc(Oc2ccc(NC(=O)O)cc2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.51
TNNI3K Q59H18 13/20 0.51
MAP2K7 O14733 2/20 0.47
MAPK14 Q16539 11/20 0.45
BRAF P15056 7/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
IL18 Q14116 1/20 0.44
RAF1 P04049 2/20 0.44

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
SCHEMBL5317859 0.87 KDR (0.56) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL5319488 0.83 MAP4K4 (0.46) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL5318118 0.82 KDR (0.54) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL20239135 0.79 ACACB (0.45) KDRMAP2K7POLBMAPTKMT2A
SCHEMBL5343714 0.76 KDR (0.49) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL5316445 0.75 KDR (0.48) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL18362139 0.75 MEN1 (0.42) KDRKDM4EMEN1RAB9AKMT2A
SCHEMBL5317905 0.75 P2RX3 (0.45) KDRTNNI3KMAPK14BRAFKDM4E
SCHEMBL5337979 0.74 KDR (0.46) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL18362098 0.73 L3MBTL1 (0.58) KDRMEN1LMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US 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-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 KDR 555/4885TNNI3K 112/4885MAP2K7 141/4885

“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.