SCHEMBL3053519

SCHEMBL3053519

Fc1ccc(NCc2cnc(N3CCCCC3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.47
▸ CACNA1H O95180 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ AURKA O14965 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ RET P07949 1/20 0.45
▸ MET P08581 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ MAPK8 P45983 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ MAP2K1 Q02750 1/20 0.45
▸ MAP4K2 Q12851 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ NTRK3 Q16288 1/20 0.45

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
Hydrochloric Acid SCHEMBL4738978 0.99 CACNA1B (0.46) CACNA1BCACNA1HLMNAAURKAABL1
SCHEMBL22279044 0.90 CACNA1B (0.48) CACNA1BCACNA1HLMNACTNNB1TCF7L2
SCHEMBL30635494 0.85 CACNA1B (0.50) CACNA1BCACNA1HABL1CTNNB1TCF7L2
SCHEMBL30635491 0.82 MAPT (0.51) CACNA1BCACNA1HLMNAABL1KDM4E
SCHEMBL22279043 0.79 P4HTM (0.50) CACNA1BCACNA1HLMNAKDM4EGAA
SCHEMBL22279049 0.77 P4HTM (0.51) CACNA1BCACNA1HLMNAHTR2CHTR2A
SCHEMBL22279054 0.76 KDM4E (0.57) CTNNB1TCF7L2KDM4EGAAL3MBTL1
SCHEMBL2464412 0.76 GAA (0.67) CACNA1BCACNA1HLMNAKDM4EGAA
SCHEMBL4735306 0.74 SMN1; SMN2 (0.47) CACNA1BCACNA1HLMNAMAPTSMN1; SMN2
SCHEMBL14504164 0.74 HTT (0.54) LMNACTNNB1TCF7L2ALOX15SMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 — — US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 — — US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 — — US disclosed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 — — EP disclosed
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 — — EP disclosed
EP-2091917-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-08-26 — — EP disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S CACNA1B 10/4885CACNA1H 13/4885LMNA 2283/4885

“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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