SCHEMBL13412936

SCHEMBL13412936

CCCCOc1ccc(-c2ccc3nc(N)sc3c2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.57
PI4KA P42356 18/20 0.57
PI4KB Q9UBF8 18/20 0.57
PIK3CD O00329 16/20 0.57
PIK3CB P42338 16/20 0.57
PIK3CG P48736 15/20 0.57
PIP5K1C O60331 4/20 0.53
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALKBH5 Q6P6C2 1/20 0.51
FTO Q9C0B1 1/20 0.51

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
SCHEMBL1852070 0.82 ALKBH5 (0.61) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL13412878 0.82 PI4KA (0.80) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL13412968 0.81 CYP3A4 (0.63) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL1853965 0.80 CYP3A4 (0.62) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL9399572 0.79 S1PR1 (0.49) CYP3A4
SCHEMBL5946843 0.78 CYP3A4 (0.78) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL9399442 0.77 S1PR1 (0.51) CYP3A4
SCHEMBL6811786 0.75 CYP3A4 (0.72) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL11344342 0.75 CYP3A4 (0.72) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL16240828 0.75 CYP3A4 (0.72) PIK3CAPI4KAPI4KBPIK3CDPIK3CB

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 2 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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB PIK3CA 4138/4885PI4KA 4376/4885PI4KB 3436/4885

“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.