SCHEMBL3496753

SCHEMBL3496753

CC(C)C(NCCCNC(=O)OC(C)(C)C)c1nc2ccccc2n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
GAA P10253 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
KIF11 P52732 1/20 0.44
FPR1 P21462 1/20 0.43
GNRHR P30968 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP10 P09238 1/20 0.42
MMP12 P39900 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3492752 1.00 BRD4 (0.47) BRD4GAAHDAC1HDAC6POLB
SCHEMBL3493003 0.86 GAA (0.53) GAAHDAC1HDAC6POLBSMN1; SMN2
SCHEMBL3235885 0.86 GAA (0.53) GAAHDAC1HDAC6POLBSMN1; SMN2
SCHEMBL4096829 0.85 KIF11 (0.44) BRD4USP2KIF11GNRHRMEN1
SCHEMBL4102093 0.85 KIF11 (0.46) BRD4SMN1; SMN2KIF11GNRHRMEN1
SCHEMBL13956802 0.84 KIF11 (0.46) BRD4KIF11GNRHRTLR7
SCHEMBL5107451 0.84 KIF11 (0.47) BRD4KIF11GNRHRTLR7
SCHEMBL14563395 0.84 SCD (0.41) BRD4GAAKIF11GNRHRMEN1
SCHEMBL5650348 0.83 KIF11 (0.48) BRD4KIF11CYP2C19
SCHEMBL5647214 0.83 KIF11 (0.48) BRD4KIF11CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093767-A1 Mitotic Kinase Inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-04-15 US claimed
WO-2006060737-A2 MITOTIC KINESIN INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-08 WO claimed
US-20100093767-A1 Mitotic Kinase Inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-04-15 US disclosed
WO-2006060737-A2 MITOTIC KINESIN INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-08 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 (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-20100093767-A1 Mitotic Kinase Inhibitors BUB1B, BUB1, PLK1 BRD4 1810/4885GAA 1160/4885HDAC1 701/4885

“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.