SCHEMBL1042351

SCHEMBL1042351

Nc1nc2c(O)cccc2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 1/20 0.54
ATR Q13535 1/20 0.46
PARP1 P09874 9/20 0.46
TNKS O95271 7/20 0.46
TNKS2 Q9H2K2 7/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
DAO P14920 2/20 0.43
DDO Q99489 1/20 0.43
PLAU P00749 1/20 0.41
NCF1 P14598 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
Bromide SCHEMBL5141524 0.98 PLAUR (0.53) PLAURATRPARP1TNKSTNKS2
SCHEMBL15323237 0.82 PLAUR (0.58) PLAURPARP1MEN1KMT2AKDM4E
SCHEMBL3237187 0.79 PARP1 (0.53) PARP1TNKSTNKS2MEN1KMT2A
SCHEMBL14222708 0.78 NUDT1 (0.51) ATRMEN1KMT2APLAUNCF1
SCHEMBL6081154 0.77 GRIN1 (0.45) ATRPARP1TNKSTNKS2KMT2A
SCHEMBL1038475 0.76 PLAUR (0.50) PLAURPARP1TNKSTNKS2CYP2D6
SCHEMBL4314003 0.74 ACHE (0.46) ATRPARP1KMT2AKDM4ECYP1A2
SCHEMBL13897695 0.73 DAO (0.45) PLAURMEN1KMT2AKDM4EDAO
SCHEMBL4629094 0.72 PARP1 (0.47) PARP1
SCHEMBL1043194 0.72 PLAUR (0.54) PLAURPARP1TNKSTNKS2MEN1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227469-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2012-07-24 US disclosed
US-8227469-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2012-07-24 US disclosed
US-8227469-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2012-07-24 US disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
US-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-08-06 US disclosed
US-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-08-06 US disclosed
US-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-08-06 US disclosed
US-7534798-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-05-19 US disclosed
US-7534798-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-05-19 US disclosed
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-03-16 US disclosed
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
WO-2005077938-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-08-25 WO disclosed
WO-2005077944-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2005-08-25 WO disclosed
US-20050182067-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-18 US disclosed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 US disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 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 (7 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-20060058308-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 PLAUR 781/4885ATR 1774/4885PARP1 2400/4885
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 PLAUR 870/4885ATR 1907/4885PARP1 2771/4885
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PLAUR 852/4885ATR 2473/4885PARP1 3302/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PLAUR 852/4885ATR 2473/4885PARP1 3302/4885
US-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 PLAUR 844/4885ATR 2526/4885PARP1 3430/4885
US-20050182067-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PLAUR 844/4885ATR 2526/4885PARP1 3430/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PLAUR 853/4885ATR 2643/4885PARP1 3217/4885

“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.