SCHEMBL71006

SCHEMBL71006

COc1cc(F)ccc1-c1nc([C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)[nH]c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 8/20 0.42
CDK2 P24941 5/20 0.42
CDK1 P06493 3/20 0.42
KIT P10721 5/20 0.42
CASP3 P42574 3/20 0.39
CASP7 P55210 3/20 0.39
SUV39H2 Q9H5I1 1/20 0.36
CCNT1 O60563 1/20 0.35
GSK3B P49841 1/20 0.35
CDK7 P50613 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
FASN P49327 1/20 0.35
NPY5R Q15761 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL70398 0.90 AGER (0.39) KITFASNNPY5RKCNH2
SCHEMBL91026 0.86 KIT (0.42) KITFASNNPY5R
SCHEMBL70666 0.84 KIT (0.42) KITNPY5R
SCHEMBL90952 0.81 KIT (0.51) KITNPY5R
SCHEMBL71900 0.79 KIT (0.51) KIT
SCHEMBL71894 0.78 KIT (0.40) KITNPY5R
SCHEMBL71325 0.74 KIT (0.49) KITFASNNPY5R
SCHEMBL69782 0.74 NPY5R (0.39) KITNPY5R
SCHEMBL71049 0.73 KIT (0.47) KITFASN
SCHEMBL90946 0.69 KMT2A (0.41)

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-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-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
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 2612/4885CDK1 2555/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CDK9 2907/4885CDK2 2612/4885CDK1 2555/4885

“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.