SCHEMBL5339167

SCHEMBL5339167

NC(=O)c1coc(-c2cc(Oc3cccc(N)c3)ncn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
F10 P00742 4/20 0.36
F2 P00734 3/20 0.36
ROCK1 Q13464 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
KMO O15229 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
TNNI3K Q59H18 1/20 0.33

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
SCHEMBL5444354 0.86 MAPT (0.44) ALDH1A1NPC1RAB9ACYP1A2CYP2C19
SCHEMBL5333814 0.85 MAP2K7 (0.42) ALDH1A1BRAFKDRMAPK14TNNI3K
SCHEMBL14447588 0.80 ALDH1A1 (0.42) ALDH1A1F10F2MAOBKDR
SCHEMBL5448231 0.80 AURKA (0.41) BRAFKDRMAPK14TNNI3KMAP2K7
SCHEMBL5375763 0.76 KDR (0.59) BRAFKDR
SCHEMBL5379857 0.76 NPC1 (0.43) ALDH1A1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL5340860 0.75 NPC1 (0.43) ALDH1A1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL5452622 0.74 NPC1 (0.44) ALDH1A1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL5437209 0.72 NPC1 (0.43) ALDH1A1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL5317914 0.71 CYP1A2 (0.43) ALDH1A1NPC1RAB9ACYP1A2CYP2C9

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
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
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 ALDH1A1 3164/4885NPC1 4325/4885RAB9A 1640/4885

“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.