SCHEMBL5337979

SCHEMBL5337979

O=C(O)Nc1ccc(Oc2cc(-c3ncn[nH]3)ncn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.46
TNNI3K Q59H18 10/20 0.46
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
MAP2K7 O14733 2/20 0.43
MAPK14 Q16539 8/20 0.41
BRAF P15056 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FLT3 P36888 2/20 0.40
LTA4H P09960 1/20 0.40
RAF1 P04049 2/20 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
SCHEMBL5440086 0.87 MAP2K7 (0.46) KDRTNNI3KHTTMAP2K7CYP1A2
SCHEMBL14447641 0.85 MAP4K4 (0.42) KDRTNNI3KKDM4EUSP2LMNA
SCHEMBL5457856 0.79 KDR (0.63) KDRBRAFFLT3RAF1
SCHEMBL5450758 0.78 NPC1 (0.44) KDM4EHTTCYP1A2CYP2C9CYP2C19
SCHEMBL5318118 0.77 KDR (0.54) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL5424685 0.75 KDR (0.48) KDRTNNI3KMAP2K7MAPK14BRAF
SCHEMBL5338822 0.74 KDR (0.45) KDRTNNI3KHPGDMAP2K7MAPK14
SCHEMBL5339727 0.74 KDR (0.51) KDRTNNI3KKDM4ELMNAMAP2K7
SCHEMBL14447635 0.73 MAP2K7 (0.44) KDRTNNI3KHTTMAP2K7MAPK14
SCHEMBL5422702 0.72 MAP2K7 (0.44) KDRTNNI3KMAP2K7CYP1A2CYP2C9

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
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 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-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 KDR 555/4885TNNI3K 112/4885KDM4E 2103/4885

“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.