SCHEMBL936764

SCHEMBL936764

O=C(O)c1ccc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 6/20 0.56
ATM Q13315 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
SCD O00767 5/20 0.53
DCTPP1 Q9H773 3/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL3405262 0.89 SCD (0.49) SCDDCTPP1
SCHEMBL936973 0.86 SCD (0.49) KDM4EALDH1A1ATMTDP1NPSR1
SCHEMBL937262 0.86 SCD (0.49) KMT2AMEN1SCDDCTPP1
SCHEMBL937341 0.85 FAAH (0.50) SCDDCTPP1
SCHEMBL936746 0.84 RBP4 (0.60) SCDDCTPP1
SCHEMBL1817020 0.82 SCD (0.49) SCDDCTPP1
SCHEMBL1600528 0.82 SCD (0.71) SCDDCTPP1
SCHEMBL27776422 0.81 SCD (0.72) SCDDCTPP1
SCHEMBL937146 0.80 DRD4 (0.50) ALDH1A1KMT2A
SCHEMBL4981909 0.78 FAAH (0.50) ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4808616-B2 2011-11-02 JP claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US claimed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US claimed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP claimed
JP-2007500717-A 2007-01-18 JP claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
EP-3042895-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2016-07-13 EP disclosed
EP-2316827-B1 Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2016-01-27 EP disclosed
CN-102600162-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2012-07-25 CN disclosed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP disclosed
US-7964591-B2 Pyridazine derivatives and their use as therapeutic agents NOVARTIS PHARMA AG (CH) 2011-06-21 US disclosed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO disclosed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP disclosed
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-01-12 US disclosed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US disclosed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 KDM4E 1401/4885ALDH1A1 2432/4885ATM 2095/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 KDM4E 860/4885ALDH1A1 1500/4885ATM 2470/4885
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, C3AR1 KDM4E 1445/4885ALDH1A1 2260/4885ATM 1946/4885

“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.