SCHEMBL1011405

SCHEMBL1011405

CCOC(=O)Nc1cccc2cccnc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
POLB P06746 3/20 0.63
MEN1 O00255 3/20 0.62
HPGD P15428 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALDH1A1 P00352 2/20 0.61
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
KDR P35968 3/20 0.59
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55

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
SCHEMBL6786453 0.86 POLB (0.60) KMT2APOLBMEN1HPGDTDP1
SCHEMBL21121176 0.85 POLB (0.68) KMT2APOLBMEN1HPGDTDP1
SCHEMBL8789037 0.82 HDAC1 (0.62) KMT2APOLBMEN1TDP1RAB9A
SCHEMBL4272417 0.82 TDP1 (0.59) KMT2APOLBMEN1HPGDTDP1
SCHEMBL1011911 0.82 ALDH1A1 (0.59) POLBHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL5326796 0.81 HDAC4 (0.67) KMT2APOLBMEN1HPGDTDP1
SCHEMBL9850789 0.81 ALDH1A1 (0.54) KMT2APOLBMEN1HPGDALDH1A1
SCHEMBL8401892 0.81 TDP1 (0.73) KMT2APOLBMEN1HPGDTDP1
SCHEMBL6985945 0.81 HPGD (0.57) KMT2APOLBMEN1HPGDTDP1
SCHEMBL22556188 0.80 TDP1 (0.61) KMT2APOLBMEN1HPGDTDP1

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
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
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 KMT2A 3770/4885POLB 3603/4885MEN1 3327/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 KMT2A 3777/4885POLB 3171/4885MEN1 3504/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 KMT2A 3777/4885POLB 3171/4885MEN1 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.