SCHEMBL1013567

SCHEMBL1013567

Ic1cc(Nc2ccc3cccnc3c2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ ABCB1 P08183 2/20 0.39
▸ ABCC1 P33527 2/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ BAZ1A Q9NRL2 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ P2RY14 Q15391 2/20 0.38
▸ CYP3A4 P08684 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
SCHEMBL1012912 0.83 TRPV1 (0.58) TRPV1ALDH1A1MEN1KMT2ACASP1
SCHEMBL14108441 0.83 TRPV1 (0.61) TRPV1ALDH1A1MEN1KMT2ACASP1
SCHEMBL13868105 0.74 TRPV1 (1.00) TRPV1
SCHEMBL21101485 0.73 ALDH1A1 (0.58) TRPV1ALDH1A1MEN1KMT2ACASP1
SCHEMBL1011814 0.73 TRPV1 (0.48) TRPV1ALDH1A1MEN1KMT2AHTT
SCHEMBL1013062 0.71 TRPV1 (0.54) TRPV1CYP1A2DDB1CRBNCYP3A4
SCHEMBL2389236 0.70 MEN1 (0.56) ALDH1A1MEN1KMT2AHTTEGFR
SCHEMBL16250487 0.70 TP53 (0.62) HTTEGFRABCG2HDAC6CYP3A4
SCHEMBL3072828 0.70 ALDH1A1 (0.58) TRPV1ALDH1A1MEN1KMT2ACASP1
SCHEMBL22658423 0.70 ALDH1A1 (0.53) TRPV1ALDH1A1MEN1KMT2ACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 — — EP disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 — — US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 — — US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 — — US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 — — US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 — — US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 — — US disclosed
US-7053088-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-05-30 — — US disclosed
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 — — 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
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 — — US 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 (3 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-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885ALDH1A1 3105/4885MEN1 3327/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885ALDH1A1 3238/4885MEN1 3504/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885ALDH1A1 3238/4885MEN1 3504/4885

“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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