SCHEMBL2214941

SCHEMBL2214941

Cn1nc(C(=O)N2CCOCC2)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL17076827 0.88 HPGD (0.48) HPGDTSHRESR2SMN1; SMN2HTT
SCHEMBL13817563 0.83 HPGD (0.48) HPGDTSHRESR2SMN1; SMN2HTT
SCHEMBL27249711 0.83 NR2E1 (0.56) HPGDTSHRESR2SMN1; SMN2KDM4E
SCHEMBL15649920 0.82 SMN1; SMN2 (0.50) HPGDTSHRESR2SMN1; SMN2KDM4E
SCHEMBL17473523 0.77 SMN1; SMN2 (0.48) HPGDTSHRSMN1; SMN2KDM4EPKM
SCHEMBL14930399 0.77 SMN1; SMN2 (0.51) HPGDSMN1; SMN2KDM4EHTTGAA
SCHEMBL70171 0.76 KDM4E (0.58) HPGDTSHRKDM4EPKMGAA
SCHEMBL14912963 0.76 SMN1; SMN2 (0.47) HPGDTSHRSMN1; SMN2KDM4EHTT
SCHEMBL14926281 0.75 PDE2A (0.49) HPGDTSHRSMN1; SMN2KDM4EHTT
SCHEMBL2210279 0.74 HTT (0.43) SMN1; SMN2KDM4EHTTL3MBTL1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 — — US disclosed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 — — EP disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 — — 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-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3CA, PIK3CD, PI4KA HPGD 2278/4885TSHR 4135/4885ESR2 3844/4885

“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.

Send feedback