SCHEMBL5044579

SCHEMBL5044579

NCC1=C[N]C(c2ccccc2)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
DPP4 P27487 4/20 0.36
NOTUM Q6P988 2/20 0.35
LOXL2 Q9Y4K0 2/20 0.34
CYP2E1 P05181 4/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2A6 P11509 4/20 0.33
CYP2C9 P11712 4/20 0.33
CYP2B6 P20813 4/20 0.33
CYP2C19 P33261 4/20 0.33
CYP2D6 P10635 3/20 0.33
TDO2 P48775 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
CSNK2A1 P68400 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2C8 P10632 2/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL21151453 0.64 ALDH1A1 (0.53) TAAR1NOTUMCYP3A4ALDH1A1CYP1A2
Biphenyl SCHEMBL21932883 0.61 ALDH1A1 (0.69) TAAR1DPP4NOTUMLOXL2CYP2E1
Biphenyl SCHEMBL10333738 0.59 ALDH1A1 (0.64) TAAR1DPP4NOTUMLOXL2CYP3A4
Biphenyl SCHEMBL27410798 0.58 TAAR1 (0.84) TAAR1DPP4LOXL2CYP2E1CYP3A4
Biphenyl SCHEMBL27882978 0.57 ALDH1A1 (0.60) TAAR1DPP4NOTUMLOXL2CYP3A4
Biphenyl SCHEMBL27334830 0.57 ALDH1A1 (0.60) TAAR1DPP4LOXL2CYP3A4CHRNB2
Biphenyl SCHEMBL4840882 0.57 ALDH1A1 (0.60) TAAR1DPP4NOTUMLOXL2CYP3A4
SCHEMBL22291708 0.57 TAAR1 (1.00) TAAR1LOXL2CYP3A4CYP2A6CHRNB2
SCHEMBL22202237 0.57 TAAR1 (1.00) TAAR1LOXL2CYP3A4CYP2A6CHRNB2
SCHEMBL6527260 0.55 ALDH1A1 (0.47) TAAR1NOTUMCYP3A4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680420-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-09-24 EP claimed
JP-2007510660-A 2007-04-26 JP claimed
EP-1680420-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-19 EP claimed
US-20060111374-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-25 US claimed
US-20050148593-A1 Treating cell proliferation disorder, anticancer agents CYTOKINETICS, INC. 2005-07-07 US claimed
WO-2005046588-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-05-26 WO claimed
US-20040116438-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2004-06-17 US claimed
EP-1680420-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-09-24 EP disclosed
US-7332498-B2 Modulation of KSP kinesin activity with heterocyclic-fused pyrimidinone derivatives CYTOKINETICS, INC. (US) 2008-02-19 US disclosed
EP-1513820-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-09-13 EP disclosed
EP-1680420-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-19 EP disclosed
US-20060111374-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-25 US disclosed
US-7038048-B2 3H-pyridopyrimidin-4-one compounds, compositions, and methods of their use CYTOKINETICS, INC. (US) 2006-05-02 US disclosed
US-20050148593-A1 Treating cell proliferation disorder, anticancer agents CYTOKINETICS, INC. 2005-07-07 US disclosed
WO-2005046588-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-05-26 WO disclosed
EP-1513820-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-16 EP disclosed
US-20040116438-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2004-06-17 US disclosed
WO-2003103575-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-12-18 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 (2 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-20050148593-A1 Treating cell proliferation disorder, anticancer agents MKI67, PCNA, CCNH TAAR1 4729/4885DPP4 4618/4885NOTUM 3213/4885
US-20060111374-A1 Compounds, compositions, and methods ALPP, MKI67, PCNA TAAR1 4835/4885DPP4 4611/4885NOTUM 1950/4885

“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.