SCHEMBL3496287

SCHEMBL3496287

CC(Cc1nc2ccccc2n1Cc1ccccc1)CN(CCCN)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
FPR1 P21462 1/20 0.44
AGTR1 P30556 3/20 0.42
AGTR2 P50052 3/20 0.42
ALOX5AP P20292 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PPARG P37231 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH2 Q12809 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39

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
SCHEMBL6110495 0.79 KIF11 (0.54) KIF11KCNH2MAP1LC3B
SCHEMBL3493383 0.79 KIF11 (0.59) KIF11POLBSMN1; SMN2USP2TSHR
SCHEMBL3493386 0.79 KIF11 (0.59) KIF11POLBSMN1; SMN2USP2TSHR
SCHEMBL3496879 0.78 KIF11 (0.70) KIF11POLBSMN1; SMN2AGTR1AGTR2
SCHEMBL6111634 0.76 KIF11 (0.49) KIF11KCNH2MAP1LC3B
SCHEMBL6110928 0.76 KIF11 (0.53) KIF11KCNH2MAP1LC3B
SCHEMBL4366741 0.74 KIF11 (0.54) KIF11KCNH2MAP1LC3B
SCHEMBL1077328 0.73 KIF11 (0.48) KIF11AGTR1AGTR2CNR1CNR2
SCHEMBL5756374 0.73 KIF11 (0.44) KIF11PPARGKCNH2MAP1LC3B
SCHEMBL5751482 0.73 KIF11 (0.57) KIF11KCNH2MAP1LC3B

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 1 patent. 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 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 18/4885POLB 490/4885SMN1; SMN2 1668/4885

“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.