SCHEMBL4274067

SCHEMBL4274067

C/C=C(/C)c1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.63
▸ RAB9A P51151 3/20 0.63
▸ GFER P55789 1/20 0.63
▸ AURKA O14965 1/20 0.58
▸ JAK2 O60674 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ NTRK1 P04629 1/20 0.58
▸ LCK P06239 1/20 0.58
▸ FYN P06241 1/20 0.58
▸ CSF1R P07333 1/20 0.58
▸ RET P07949 1/20 0.58
▸ IGF1R P08069 1/20 0.58
▸ MET P08581 1/20 0.58
▸ PDGFRB P09619 1/20 0.58
▸ PIM1 P11309 1/20 0.58
▸ FGFR1 P11362 1/20 0.58
▸ PRKACA P17612 1/20 0.58
▸ KDR P35968 1/20 0.58
▸ MAP2K2 P36507 1/20 0.58
▸ CDK8 P49336 1/20 0.58

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
SCHEMBL4274072 1.00 NPC1 (0.63) NPC1RAB9AGFERAURKAJAK2
SCHEMBL4274076 1.00 NPC1 (0.63) NPC1RAB9AGFERAURKAJAK2
SCHEMBL1765847 0.82 AURKA (0.63) NPC1RAB9AGFERAURKAJAK2
SCHEMBL25482031 0.80 NPC1 (0.58) NPC1RAB9AGFERAURKAJAK2
SCHEMBL1132610 0.79 MAPT (0.62) NPC1RAB9AGFERAURKAJAK2
SCHEMBL13134195 0.79 AURKA (0.59) NPC1RAB9AGFERAURKAJAK2
SCHEMBL7406207 0.79 AURKA (0.59) NPC1RAB9AGFERAURKAJAK2
SCHEMBL250112 0.79 AURKA (0.63) NPC1RAB9AGFERAURKAJAK2
SCHEMBL6494869 0.78 NPC1 (1.00) NPC1RAB9AGFERAURKAJAK2
SCHEMBL6494873 0.78 NPC1 (1.00) NPC1RAB9AGFERAURKAJAK2

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
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 — — WO disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 — — EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 — — US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 — — 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-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 NPC1 1303/4885RAB9A 1758/4885GFER 686/4885

“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.

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