SCHEMBL5338939

SCHEMBL5338939

CC(C)(C)OC(=O)Nc1ccc(Oc2cc(-n3cncn3)ncn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAP4K4 O95819 1/20 0.41
KDR P35968 7/20 0.41
TNNI3K Q59H18 7/20 0.41
MAPK14 Q16539 5/20 0.41
BRAF P15056 4/20 0.41
MAP2K7 O14733 2/20 0.41
GPR119 Q8TDV5 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP17A1 P05093 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5336104 0.81 CYP17A1 (0.41) LMNAMAP4K4KDRTNNI3KMAPK14
SCHEMBL5451118 0.80 MAP2K7 (0.51) MAP4K4KDRTNNI3KMAPK14BRAF
SCHEMBL5446984 0.78 MAP4K4 (0.48) MAP4K4KDRTNNI3KMAPK14BRAF
SCHEMBL9909932 0.78 LMNA (0.53) LMNAMAP4K4MAPTCYP17A1ALDH1A1
SCHEMBL1162957 0.78 GPR119 (0.50) LMNAMAP4K4MAPK14GPR119MAPT
SCHEMBL5319197 0.77 KMO (0.52) MAP4K4KDRTNNI3KMAPK14BRAF
SCHEMBL5337202 0.76 KDR (0.62) KDRBRAF
SCHEMBL22541668 0.76 KDR (0.60) MAP4K4KDRTNNI3KMAPK14BRAF
SCHEMBL5319488 0.76 MAP4K4 (0.46) MAP4K4KDRTNNI3KMAPK14BRAF
SCHEMBL14447591 0.76 MAP4K4 (0.46) MAP4K4KDRTNNI3KMAPK14BRAF

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 3 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
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 LMNA 4180/4885MAP4K4 69/4885KDR 555/4885

“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.