SCHEMBL4276324

SCHEMBL4276324

O=C(Nc1cccnc1)Nc1cc(F)cc(Oc2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.64
FFAR4 Q5NUL3 2/20 0.59
CYP1A2 P05177 2/20 0.55
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.54
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TP53 P04637 2/20 0.52
HTT P42858 1/20 0.52
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
RECQL P46063 1/20 0.50
CDK8 P49336 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL8350535 0.86 KDM4E (0.67) TAAR1CYP1A2KMT2AMAPTMEN1
SCHEMBL22926426 0.85 TAAR1 (0.80) TAAR1KMT2AMAPTMEN1LMNA
SCHEMBL4475675 0.84 TSHR (0.59) FFAR4CYP1A2KMT2ALMNACYP11B1
SCHEMBL4466412 0.81 CYP11B1 (0.56) FFAR4LMNAALDH1A1NPC1RAB9A
SCHEMBL4478047 0.79 GRM5 (0.59) FFAR4CYP1A2KMT2ALMNAALDH1A1
SCHEMBL17104293 0.78 FFAR4 (0.52) TAAR1FFAR4NPC1RAB9A
SCHEMBL12830278 0.78 GRM5 (0.58) FFAR4CYP1A2KMT2ALMNAALDH1A1
SCHEMBL12412646 0.78 GRM5 (0.77) KMT2AMEN1
SCHEMBL12412147 0.78 GRM5 (0.61) LMNAALDH1A1
SCHEMBL4281848 0.78 LMNA (0.62) FFAR4CYP1A2KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
EP-1615878-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2007-09-19 EP disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
EP-1615878-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2006-01-18 EP disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US disclosed
WO-2004064730-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-08-05 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 TAAR1 4610/4885FFAR4 4620/4885CYP1A2 4607/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 TAAR1 4657/4885FFAR4 4595/4885CYP1A2 4662/4885

“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.