SCHEMBL2299435

SCHEMBL2299435

CCCCCn1c(O)nc2ncc(Cl)c(-c3cncc(O)c3)c21

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHEK1 O14757 1/20 0.30
WEE1 P30291 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL2297468 0.91 TLR7 (0.34) CHEK1WEE1
SCHEMBL2299908 0.89 TLR7 (0.36) CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL2296335 0.88 GRM2 (0.33)
SCHEMBL2300501 0.88 TLR7 (0.38) CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL2302606 0.87 GCGR (0.40) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL2299677 0.85 ESR1 (0.38) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL2298472 0.84 RIPK3 (0.35) KDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2296121 0.84 TLR8 (0.42) KDM4ESMN1; SMN2CYP3A4
SCHEMBL2298814 0.83 KDM4E (0.42) KDM4EALDH1A1GAA
SCHEMBL2300694 0.83 TLR8 (0.39) KDM4EMEN1ALDH1A1KMT2A

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-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 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-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 (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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 KDM4E 4841/4885MEN1 2273/4885ALDH1A1 3443/4885

“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.