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SCHEMBL90993

SCHEMBL90993

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3nc(-c4ccnc(Cl)c4)ccc3[nH]2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ CDC7 O00311 2/20 0.33
▸ DAPK3 O43293 2/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ PAK4 O96013 2/20 0.33
▸ PRKACA P17612 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ CLK2 P49760 2/20 0.33
▸ PRKX P51817 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ CDK5 Q00535 2/20 0.33
▸ MAP4K2 Q12851 2/20 0.33
▸ STK3 Q13188 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ PKN2 Q16513 2/20 0.33
▸ MINK1 Q8N4C8 2/20 0.33
▸ HIPK2 Q9H2X6 2/20 0.33

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
SCHEMBL90938 0.88 KCNH2 (0.35) IKBKBCHUKNPY5RGRIA2BRD4
SCHEMBL8594764 0.88 MKNK2 (0.34) CDK9CDK2GSK3BCDC7ROCK2
SCHEMBL90914 0.84 NPY5R (0.34) CDK9CDK2GSK3BCDC7DAPK3
SCHEMBL91024 0.83 GRIA2 (0.41) NPY5RGRIA2
SCHEMBL90855 0.83 KDM5A (0.33) IKBKBCHUKNPY5RKDM5AKDM5B
SCHEMBL90911 0.82 SMO (0.36) NPY5R
SCHEMBL8594209 0.81 RAB9A (0.34) IKBKBCHUKNPY5RBRD4
SCHEMBL90852 0.79 BRD4 (0.35) JAK3IKBKBCHUKNPY5RGRIA2
SCHEMBL90920 0.78 NPY5R (0.36) CDK9IKBKBCHUKNPY5RCCNT1
SCHEMBL90943 0.78 CNR1 (0.36) NPY5R

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-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 — — US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 — — US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 — — US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 — — 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CDK9 2907/4885CDK2 2612/4885GSK3B 2482/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CDK9 2907/4885CDK2 2612/4885GSK3B 2482/4885

“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.