SCHEMBL5340477

SCHEMBL5340477

Cn1cc(-c2cc(Oc3cccc(N)c3)ncn2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AURKB Q96GD4 1/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
FGFR1 P11362 2/20 0.42
FGFR2 P21802 2/20 0.42
FGFR3 P22607 2/20 0.42
FYN P06241 2/20 0.42
CSF1R P07333 2/20 0.41
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TNK2 Q07912 1/20 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
SCHEMBL5335592 0.86 ABL1 (0.47) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5339931 0.85 NPC1 (0.44) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5339144 0.83 FYN (0.48) CYP2C9FYNCSF1RKDR
SCHEMBL14447155 0.82 ABL1 (0.47) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL16028900 0.82 ABL1 (0.46) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5428776 0.81 ABL1 (0.46) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5336667 0.81 ABL1 (0.46) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5454528 0.81 FGFR1 (0.46) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5342655 0.80 NPC1 (0.47) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5380356 0.80 NPC1 (0.41) NPC1RAB9ACYP1A2CYP2C9CYP2C19

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 8 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-2007076474-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES 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 (2 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-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 NPC1 4474/4885RAB9A 1747/4885CYP1A2 3386/4885
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 NPC1 4325/4885RAB9A 1640/4885CYP1A2 4043/4885

“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.