SCHEMBL1853965

SCHEMBL1853965

Nc1nc2ccc(-c3ccc(OCc4ccccc4)c(F)c3)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.62
PIK3CA P42336 13/20 0.58
PI4KA P42356 13/20 0.58
PI4KB Q9UBF8 13/20 0.58
PIK3CD O00329 12/20 0.52
PIK3CG P48736 10/20 0.52
PIK3CB P42338 9/20 0.52
PIP5K1C O60331 4/20 0.49
MAPK14 Q16539 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
FTO Q9C0B1 1/20 0.47
ERN1 O75460 1/20 0.46

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
SCHEMBL3309978 0.81 CYP3A4 (0.81) CYP3A4PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL13412936 0.80 PIK3CA (0.57) CYP3A4PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL1847514 0.80 PIK3CA (0.70) CYP3A4PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL1852070 0.79 ALKBH5 (0.61) CYP3A4PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL29752153 0.79 CYP3A4 (0.68) CYP3A4PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL11414056 0.77 CYP3A4 (1.00) CYP3A4PIK3CAPI4KAPI4KB
SCHEMBL8773471 0.75 PIK3CA (1.00) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL3884044 0.75 SCN4A (0.52) CYP3A4PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL24363273 0.75 ERN1 (0.50) ERN1
SCHEMBL28364480 0.74 CYP3A4 (0.81) CYP3A4PIK3CAPI4KAPI4KBPIK3CD

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-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
EP-2323697-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY Siemens Medical Solutions USA, Inc. (US) 2011-05-25 EP disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
WO-2010011964-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-01-28 WO 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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB CYP3A4 4593/4885PIK3CA 4138/4885PI4KA 4376/4885

“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.