SCHEMBL5426257

SCHEMBL5426257

Nc1cccc(Oc2ccnc(-c3nnco3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
TLR8 Q9NR97 2/20 0.38
MAOB P27338 1/20 0.38
ROCK1 Q13464 1/20 0.37
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
F10 P00742 3/20 0.35
F2 P00734 1/20 0.35
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BRCA1 P38398 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 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
SCHEMBL5422490 0.79 RAB9A (0.40) ROCK1MAPTTP53KDM4EMEN1
SCHEMBL14447154 0.79 MAOB (0.44) NOTUMTLR8MAOBPOLBHSP90AA1
SCHEMBL5340860 0.77 NPC1 (0.43) NOTUMTLR8MAOBROCK1POLB
SCHEMBL14447588 0.76 ALDH1A1 (0.42) PIM1PIM3PIM2MAOBF10
SCHEMBL24920787 0.73 ALDH1A1 (0.43) NOTUMPIM1PIM2TLR8MAPT
SCHEMBL5377932 0.73 MAOB (0.49) MAOBPOLBHSP90AA1MAPTF10
SCHEMBL9138677 0.71 MAOB (0.50) NOTUMTLR8MAOBPOLBHSP90AA1
SCHEMBL202664 0.70 MAOB (0.67) MAOBPOLBHSP90AA1MAPTF10
SCHEMBL29492481 0.70 MAOB (0.67) MAOBPOLBHSP90AA1MAPTF10
SCHEMBL31696915 0.70 MAOB (0.67) MAOBPOLBHSP90AA1MAPTF10

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 4 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
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 NOTUM 4000/4885PIM1 439/4885PIM3 352/4885

“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.