SCHEMBL4288047

SCHEMBL4288047

Cc1ccc(-c2c(Cl)[c]ccc2Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.40
HPGDS O60760 1/20 0.39
PTGS2 P35354 8/20 0.35
PTGS1 P23219 2/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPK14 Q16539 1/20 0.35
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
CRHR1 P34998 1/20 0.34
PDK2 Q15119 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
TDO2 P48775 1/20 0.32

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
SCHEMBL10901223 0.77 CYP2A6 (0.47) NPC1RAB9A
SCHEMBL9731437 0.77 PTGS2 (0.37) PTGS2
SCHEMBL4275481 0.75 HPGDS (0.39) HPGDSPTGS2PTGS1ABCC4ABCB11
SCHEMBL4284685 0.75 HPGDS (0.39) ADORA3HPGDSPTGS2PTGS1ABCC4
SCHEMBL4275475 0.73 HPGDS (0.40) HPGDSPTGS2PTGS1NPC1PKM
SCHEMBL437532 0.72 AHR (0.38) PTGS2PDE4DNPC1RAB9A
SCHEMBL4288091 0.71 PDK2 (0.41) ADORA3HPGDSPTGS2PTGS1ABCC4
SCHEMBL2874737 0.71 CYP1A2 (0.41) PTGS2PTGS1
SCHEMBL18674427 0.71 ELANE (0.46) ADORA3HPGDSPTGS2NPC1PKM
SCHEMBL676678 0.71 HPGDS (0.56) HPGDSPTGS2NPC1PKMRAB9A

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 ADORA3 4206/4885HPGDS 1344/4885PTGS2 2180/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ADORA3 4187/4885HPGDS 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.