SCHEMBL3496879

SCHEMBL3496879

Cc1ccc(C(=O)N(CCCN)Cc2nc3ccccc3n2Cc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.70
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AGTR1 P30556 3/20 0.51
AGTR2 P50052 3/20 0.51
PPARG P37231 1/20 0.48
POLB P06746 1/20 0.47
MAP1LC3B Q9GZQ8 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KCNH2 Q12809 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL19732324 0.84 KIF11 (0.71) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3493238 0.79 KIF11 (0.59) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3493245 0.79 KIF11 (0.59) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1043385 0.78 KIF11 (0.71) KIF11HTTMAP1LC3BCYP3A4CYP2C19
SCHEMBL3494994 0.78 KIF11 (0.71) KIF11HTTMAP1LC3BCYP3A4CYP2C19
SCHEMBL3495314 0.78 KIF11 (0.73) KIF11
SCHEMBL3494990 0.78 KIF11 (0.71) KIF11HTTMAP1LC3BCYP3A4CYP2C19
SCHEMBL3495310 0.78 KIF11 (0.73) KIF11
SCHEMBL3496287 0.78 KIF11 (0.48) KIF11SMN1; SMN2AGTR1AGTR2PPARG
SCHEMBL6110495 0.76 KIF11 (0.54) KIF11MAPTLMNATP53MAP1LC3B

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-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
US-20100093767-A1 Mitotic Kinase Inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-04-15 US disclosed
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 KIF11 18/4885MAPT 333/4885MEN1 1975/4885

“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.