SCHEMBL4363445

SCHEMBL4363445

Cc1ccc(C2=NCCN2C(c2nc(C#N)c(C)c(=O)n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1C Q14123 4/20 0.39
▸ PDE9A O76083 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PDE5A O76074 3/20 0.36
▸ KIF11 P52732 4/20 0.34
▸ KIF23 Q02241 1/20 0.34
▸ MAP1LC3B Q9GZQ8 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ LMNA P02545 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 0.88 ALDH1A1 (0.41) PDE1CPDE9AALDH1A1MEN1KMT2A
SCHEMBL4364324 0.88 ALDH1A1 (0.41) PDE1CPDE9AALDH1A1MEN1KMT2A
SCHEMBL4519535 0.80 KIF11 (0.53) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL4499166 0.79 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL6017498 0.77 DPP4 (0.40) SMN1; SMN2BRD4NPC1MITFHTT
SCHEMBL4363455 0.74 KDM4E (0.38) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL6017319 0.74 EGLN1 (0.39) PDE1CPDE9AALDH1A1MEN1KMT2A
SCHEMBL4521642 0.72 KIF11 (0.50) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL5406638 0.71 RGS4 (0.38) ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL4361558 0.70 KIF11 (0.63) CYP3A4CYP2C19KIF11KIF23MAP1LC3B

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 PDE1C 3705/4885PDE9A 3606/4885ALDH1A1 2640/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 PDE1C 3705/4885PDE9A 3606/4885ALDH1A1 2640/4885

“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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