SCHEMBL4363455

SCHEMBL4363455

Cc1ccc(C2=NCCN2C(c2nc(C)c(C)c(=O)n2Cc2ccccc2)C(C)C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KIF11 P52732 2/20 0.34
▸ KIF23 Q02241 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TP53 P04637 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CASR P41180 2/20 0.33
▸ NR1I2 O75469 1/20 0.33

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
SCHEMBL4364853 0.85 ALDH1A1 (0.41) POLBGAAMAPTNPSR1KIF11
SCHEMBL4364324 0.85 ALDH1A1 (0.41) POLBGAAMAPTNPSR1KIF11
SCHEMBL5756034 0.77 KDM4E (0.37) KDM4EPOLBGAAMAPTNPSR1
SCHEMBL4363445 0.74 PDE1C (0.39) NPSR1KIF11KIF23ALDH1A1TSHR
SCHEMBL4519535 0.71 KIF11 (0.53) KIF11ALDH1A1CYP2C19LMNAMEN1
SCHEMBL4365755 0.70 TLR7 (0.46) KDM4EPOLBGAAMAPTNPSR1
SCHEMBL4367588 0.70 TLR7 (0.46) KDM4EPOLBGAAMAPTNPSR1
SCHEMBL4509919 0.70 KIF11 (0.46) KIF11ALDH1A1CYP2C19LMNAMEN1
SCHEMBL4521642 0.69 KIF11 (0.50) GAAKIF11ALDH1A1CYP2C19CYP1A2
SCHEMBL4516228 0.69 KIF11 (0.55) GAAKIF11ALDH1A1CYP2C19LMNA

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-7482343-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2009-01-27 — — US disclosed
US-20070135432-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2007-06-14 — — US disclosed
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 — — US disclosed
EP-1503993-A4 COMPOUNDS, METHODS AND COMPOSITIONS CYTOKINETICS INC (US) 2006-05-03 — — EP disclosed
EP-1503993-A2 COMPOUNDS, METHODS AND COMPOSITIONS Cytokinetics, Inc. (US) 2005-02-09 — — EP disclosed
US-20040077662-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2004-04-22 — — US disclosed
WO-2003094839-A2 PYRIMIDINONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2003-11-20 — — WO 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-20040077662-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 KDM4E 1929/4885POLB 136/4885GAA 349/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 KDM4E 1929/4885POLB 136/4885GAA 349/4885

“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.

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