SCHEMBL3669331

SCHEMBL3669331

CCCCCn1c(O)nc2ncccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.48
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 4/20 0.44
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
ASAH1 Q13510 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ABCB1 P08183 1/20 0.42
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL22090002 0.82 KMT2A (0.42) KMT2AALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL16512785 0.82 TLR8 (0.64) TLR8
SCHEMBL13008655 0.81 TLR8 (0.47) TLR8KMT2AMEN1ALDH1A1HTT
SCHEMBL3674771 0.79 TLR8 (0.43) TLR8KMT2AMEN1ALDH1A1HTT
SCHEMBL13872490 0.78 TLR8 (0.45) TLR8KMT2AALDH1A1HTTKDM4E
SCHEMBL3671478 0.78 TLR8 (0.45) TLR8KMT2AMEN1ALDH1A1HTT
SCHEMBL4109888 0.78 TLR8 (0.44) TLR8ALDH1A1HTTCNR2LMNA
SCHEMBL3669397 0.78 ALDH1A1 (0.41) TLR8KMT2AMEN1ALDH1A1HTT
SCHEMBL3668408 0.77 TSHR (0.43) TLR8ALDH1A1KDM4ECNR2MAPT
SCHEMBL10834022 0.77 TLR8 (0.68) TLR8ALDH1A1HTTSMN1; SMN2MAPT

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
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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 (1 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 TLR8 4672/4885KMT2A 3851/4885MEN1 3647/4885

“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.