SCHEMBL70728

SCHEMBL70728

Nc1ccc(-c2ccccn2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ PI4KA P42356 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ PI4KB Q9UBF8 1/20 0.49
▸ KDM4E B2RXH2 7/20 0.45
▸ LMNA P02545 4/20 0.45
▸ CCR1 P32246 2/20 0.45
▸ CCR5 P51681 2/20 0.45
▸ CCR8 P51685 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ METAP1 P53582 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ DOHH Q9BU89 1/20 0.45
▸ P4HTM Q9NXG6 1/20 0.45
▸ ALOX15 P16050 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ CYP2A6 P11509 1/20 0.42

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
SCHEMBL11341702 0.83 PI4KA (0.53) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL28129414 0.83 KDM4E (0.50) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL16792550 0.82 TSHR (0.55) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL17772058 0.79 ALOX15 (0.55) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL29739308 0.79 KDM4E (0.50) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL23525622 0.79 NPC1 (0.47) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL28129410 0.79 KDM4E (0.50) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL20469169 0.79 KDM4E (0.50) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL30610285 0.79 NPC1 (0.47) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL28128887 0.79 TP53 (0.54) PIK3CDPIK3CAPI4KAPIK3CGPI4KB

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-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 — — US disclosed
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-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 PIK3CD 3763/4885PIK3CA 3614/4885PI4KA 3907/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PIK3CD 3763/4885PIK3CA 3614/4885PI4KA 3907/4885

“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.

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