SCHEMBL2296324

SCHEMBL2296324

CCC(CC)n1c(O)nc2ncc(Cl)c(-c3ccc(CNC(C)=O)cc3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.36
BACE1 P56817 1/20 0.36
MAPT P10636 4/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PDK1 Q15118 1/20 0.35
CDK4 P11802 1/20 0.35
CDK6 Q00534 1/20 0.35
BPTF Q12830 1/20 0.35
IKBKB O14920 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HDAC3 O15379 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL2297424 0.90 AURKA (0.43) BACE1IKBKB
SCHEMBL3397628 0.85 MAPK14 (0.35) MAPTSMN1; SMN2KDM4EIKBKBALDH1A1
SCHEMBL2298963 0.85 MAPK14 (0.35) MAPTSMN1; SMN2KDM4EIKBKBALDH1A1
SCHEMBL3399425 0.84 FYN (0.32) CDK4CDK6PIM1
SCHEMBL2298205 0.83 AURKA (0.32) CDK4CDK6
SCHEMBL2299674 0.83 USP7 (0.35)
SCHEMBL2300689 0.83 USP7 (0.34) BACE1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2299846 0.83 VDR (0.36) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL3399597 0.83 CDK1 (0.35) CDK4CDK6
SCHEMBL3666349 0.82 CYP1A2 (0.34) BACE1

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 8 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-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 VHL 948/4885BACE1 1547/4885MAPT 299/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 VHL 1149/4885BACE1 1587/4885MAPT 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.