SCHEMBL3915434

SCHEMBL3915434

Nc1cc(-c2ccc(C(F)(F)F)cc2NCC2CCCCC2)nc(-c2ccc3ncsc3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
PFKFB3 Q16875 3/20 0.38
PTGS2 P35354 3/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
CSNK1D P48730 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
DYRK3 O43781 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
DYRK2 Q92630 1/20 0.32

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
SCHEMBL1013066 0.78 IRAK4 (0.45) IRAK4
SCHEMBL3907709 0.68 DYRK1A (0.43) DYRK1AMEN1NPC1POLBRAB9A
SCHEMBL4621959 0.68 LIPC (0.41) PTGS2RXFP1POLBLIPCLIPG
SCHEMBL4621483 0.67 LIPC (0.42) RXFP1LIPCLIPGACP1
SCHEMBL15446070 0.65 IRAK4 (0.48) PFKFB3IRAK4
SCHEMBL18004102 0.63 NPC1 (0.56) DYRK1AMEN1NPC1POLBRAB9A
SCHEMBL5917102 0.63 RXFP1 (0.35) RXFP1LIPCLIPGIDH1
SCHEMBL979232 0.63 NPC1 (0.57) DYRK1AMEN1NPC1POLBRAB9A
SCHEMBL4620723 0.62 LIPC (0.46) LIPCLIPGIDH1
SCHEMBL1041899 0.62 TRPV1 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP claimed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 WO claimed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 US disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 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-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 DYRK1A 1411/4885PFKFB3 4581/4885PTGS2 176/4885

“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.