SCHEMBL4288091

SCHEMBL4288091

Cc1ccc(-c2ccc[c]c2Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
HPGDS O60760 1/20 0.39
PTGS2 P35354 7/20 0.38
TDO2 P48775 1/20 0.38
PTGS1 P23219 2/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAPK10 P53779 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
PDE10A Q9Y233 1/20 0.36
JUN P05412 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL4275914 0.84 PDK2 (0.42) PDK2HPGDSPTGS2TDO2MAPK10
SCHEMBL4281357 0.80 PTGS1 (0.40) PTGS2PTGS1PDE10A
SCHEMBL4274541 0.80 JAK2 (0.48) TDO2MKNK1MKNK2
SCHEMBL4274618 0.79 PTGS2 (0.45) PDK2HPGDSPTGS2TDO2PTGS1
SCHEMBL4277771 0.79 ALDH1A1 (0.42) PTGS2
SCHEMBL4289250 0.79 PDE10A (0.33) PDE10A
SCHEMBL7952212 0.79 CYP2A6 (0.49) PTGS2NPC1RAB9AMKNK1MKNK2
SCHEMBL4275481 0.79 HPGDS (0.39) PDK2HPGDSPTGS2TDO2PTGS1
SCHEMBL4284685 0.79 HPGDS (0.39) PDK2HPGDSPTGS2TDO2PTGS1
SCHEMBL4277607 0.78 PDK2 (0.39) PDK2HPGDSPTGS2TDO2MAPK10

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 6 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
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US 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 PDK2 3935/4885HPGDS 1344/4885PTGS2 2180/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PDK2 3769/4885HPGDS 1437/4885PTGS2 2225/4885

“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.