SCHEMBL2297790

SCHEMBL2297790

CCCCCn1c(O)nc2nccc(-c3ccccc3)c21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.46
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.40
TLR8 Q9NR97 4/20 0.39
ALDH1A1 P00352 2/20 0.38
ADORA2A P29274 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3669343 0.81 ALDH1A1 (0.40) PDE4BKDM4EMAPTTSHRTLR8
SCHEMBL2298814 0.77 KDM4E (0.42) PDE4BKDM4EMAPTTSHRTLR8
SCHEMBL3670167 0.77 TLR8 (0.38) PDE4BTLR8ALDH1A1
SCHEMBL3672677 0.76 CASP1 (0.36) PDE4BKDM4EMAPTTSHRTLR8
SCHEMBL3675331 0.76 GRK6 (0.44) PDE4BKDM4ETLR8ALDH1A1NPSR1
SCHEMBL2297785 0.74 CHEK1 (0.36) MAPTADORA2A
SCHEMBL3669331 0.74 TLR8 (0.48) KDM4EMAPTTLR8ALDH1A1TP53
SCHEMBL3668408 0.72 TSHR (0.43) PDE4BKDM4EMAPTTSHRTLR8
SCHEMBL2296121 0.71 TLR8 (0.42) PDE4BKDM4EMAPTTLR8CYP1A2
SCHEMBL2296013 0.71 AXL (0.35) MAPTTLR8ALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO claimed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 PDE4B 1700/4885KDM4E 4841/4885MAPT 299/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 PDE4B 1509/4885KDM4E 4848/4885MAPT 424/4885

“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.