SCHEMBL5340417

SCHEMBL5340417

O=C(O)Nc1cccc(Oc2cc(-c3nnco3)ncn2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 15/20 0.46
KDR P35968 3/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TNNI3K Q59H18 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL5338822 0.88 KDR (0.45) MAP2K7KDRNPC1CYP1A2CYP2C9
SCHEMBL14447617 0.86 MAP2K7 (0.43) MAP2K7KDRTNNI3K
SCHEMBL5416867 0.84 MAP2K7 (0.50) MAP2K7KDRNPC1CYP1A2CYP2C9
SCHEMBL5419476 0.84 KDR (0.54) MAP2K7KDRTNNI3K
SCHEMBL5332692 0.83 MAP2K7 (0.46) MAP2K7KDRNPC1CYP1A2CYP2C9
SCHEMBL5424039 0.81 KDR (0.62) KDR
SCHEMBL5341654 0.81 KDR (0.54) MAP2K7KDRTNNI3K
SCHEMBL5422490 0.80 RAB9A (0.40) KDRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5333814 0.80 MAP2K7 (0.42) MAP2K7KDRTNNI3KALDH1A1
SCHEMBL5336073 0.80 MAP2K7 (0.45) MAP2K7KDRNPC1CYP1A2CYP2C9

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 MAP2K7 141/4885KDR 555/4885NPC1 4325/4885

“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.