SCHEMBL5454528

SCHEMBL5454528

Nc1cccc(Oc2cc(-c3cnn(CCN4CCOCC4)c3)ncn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.46
FGFR2 P21802 1/20 0.46
FGFR3 P22607 1/20 0.46
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
MAP4K4 O95819 1/20 0.40
MKNK1 Q9BUB5 3/20 0.40
LTA4H P09960 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL14447681 0.89 FGFR1 (0.47) FGFR1FGFR2FGFR3IKBKETBK1
SCHEMBL5340477 0.81 NPC1 (0.47) FGFR1FGFR2FGFR3PIM1NPC1
SCHEMBL5380356 0.79 NPC1 (0.41) MAP4K4PIM1PIM3PIM2NPC1
SCHEMBL5342655 0.79 NPC1 (0.47) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL5424683 0.79 PIM1 (0.43) IKBKETBK1PIM1PIM3PIM2
SCHEMBL5452651 0.76 MAPT (0.42) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL5339896 0.76 KDR (0.45) FGFR1FGFR2FGFR3MAP4K4JAK2
SCHEMBL5432058 0.76 BRAF (0.55) EGFR
SCHEMBL5434938 0.74 SYK (0.47) FGFR1FGFR2FGFR3IKBKETBK1
SCHEMBL5339931 0.74 NPC1 (0.44) FGFR1FGFR2FGFR3PIM1PIM3

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
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 FGFR1 510/4885FGFR2 786/4885FGFR3 440/4885

“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.