SCHEMBL4277685

SCHEMBL4277685

COc1[c]c(Cl)c(-c2ccc(C)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.41
POLQ O75417 1/20 0.34
HPGDS O60760 1/20 0.34
PTGS2 P35354 7/20 0.34
PTGS1 P23219 2/20 0.34
CYP2A6 P11509 1/20 0.34
TDO2 P48775 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
PDE4D Q08499 1/20 0.34
MAPK14 Q16539 1/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDK2 Q15119 1/20 0.32
SLC22A12 Q96S37 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
SCHEMBL4283008 0.81 HPGDS (0.38) PDE10APOLQHPGDSPTGS2PTGS1
SCHEMBL4279214 0.78 PTGS2 (0.41) PDE10AHPGDSPTGS2PTGS1CYP2A6
SCHEMBL4288091 0.72 PDK2 (0.41) PDE10AHPGDSPTGS2PTGS1TDO2
SCHEMBL4279203 0.71 HSD17B1 (0.36) PTGS2PTGS1MEN1KMT2A
SCHEMBL4287985 0.70 FYN (0.40)
SCHEMBL4275481 0.69 HPGDS (0.39) PDE10AHPGDSPTGS2PTGS1TDO2
SCHEMBL4284685 0.69 HPGDS (0.39) PDE10AHPGDSPTGS2PTGS1TDO2
SCHEMBL4274810 0.69 PDE10A (0.43) PDE10APOLQHPGDSPTGS2CYP2A6
SCHEMBL4274804 0.67 HPGDS (0.40) PDE10AHPGDSPTGS2PTGS1TDO2
SCHEMBL4274618 0.67 PTGS2 (0.45) PDE10AHPGDSPTGS2PTGS1TDO2

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 PDE10A 163/4885POLQ 3650/4885HPGDS 1344/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PDE10A 209/4885POLQ 3486/4885HPGDS 1437/4885

“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.