SCHEMBL11935633

SCHEMBL11935633

Cc1c(NCCCCCN)ccc2ccsc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 5/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
AURKA O14965 1/20 0.33
JAK1 P23458 1/20 0.33
KDR P35968 1/20 0.33
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.33
LRRK2 Q5S007 1/20 0.33
AURKB Q96GD4 1/20 0.33
NQO2 P16083 3/20 0.33
IDO1 P14902 1/20 0.33
RAD52 P43351 1/20 0.32
DHFR P00374 1/20 0.32
FERMT2 Q96AC1 1/20 0.32

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
SCHEMBL13565860 0.78 NPY5R (0.47)
SCHEMBL13565903 0.78 NPY5R (0.33)
SCHEMBL11935648 0.74 ALDH1A1 (0.38) KAT2BHSP90AA1HSP90AB1AURKAJAK1
SCHEMBL19029856 0.69 KAT2B (0.52) KAT2BHSP90AA1HSP90AB1RAD52
SCHEMBL11935649 0.68 POLB (0.45) KAT2BHSP90AA1HSP90AB1IDO1
SCHEMBL11935635 0.68 ALDH1A1 (0.36) HSP90AA1HSP90AB1AURKAJAK1KDR
SCHEMBL11935803 0.66 HSP90AA1 (0.38) KAT2BHSP90AA1HSP90AB1AURKAJAK1
SCHEMBL11935655 0.66 METAP2 (0.42)
SCHEMBL6152099 0.66 KAT2B (0.55) KAT2BHSP90AA1HSP90AB1IDO1FERMT2
SCHEMBL18389925 0.65 MAPT (0.70) KAT2BHSP90AA1HSP90AB1IDO1RAD52

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-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (4 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R KAT2B 1512/4885HSP90AA1 4348/4885HSP90AB1 4066/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R KAT2B 1325/4885HSP90AA1 3741/4885HSP90AB1 3589/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KAT2B 1964/4885HSP90AA1 4396/4885HSP90AB1 4152/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R KAT2B 1304/4885HSP90AA1 3856/4885HSP90AB1 3754/4885

“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.