SCHEMBL753482

SCHEMBL753482

NC(=O)N(c1c[c]ccc1)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.33
NR3C2 P08235 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KCNN4 O15554 6/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
AGTR2 P50052 1/20 0.32
MAPK14 Q16539 2/20 0.32
PTGIR P43119 1/20 0.32
PTGDR Q13258 1/20 0.32
TSHR P16473 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31

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
SCHEMBL4798032 0.87 NPSR1 (0.45) ALDH1A1NPSR1TSHR
SCHEMBL5808336 0.81 KCNN4 (0.45) S100A4NR3C2ESR1ESR2KCNN4
Hydrochloric Acid SCHEMBL27958929 0.79 KCNN4 (0.43) S100A4NR3C2ESR1ESR2KCNN4
SCHEMBL6037507 0.73 ACHE (0.50) KCNN4ALDH1A1MAPK14TSHR
SCHEMBL4798849 0.72 NPSR1 (0.52) ALDH1A1NPSR1TSHR
SCHEMBL4797754 0.72 GAA (0.34) KCNN4ALDH1A1TSHR
SCHEMBL746118 0.71 PLAU (0.33)
SCHEMBL11729778 0.71 BCL2L1 (0.57) NR3C2ESR1ESR2TSHR
Water SCHEMBL27782253 0.71 NPSR1 (0.61) ALDH1A1NPSR1TSHR
SCHEMBL10969932 0.70 ALDH1A1 (0.68) ALDH1A1NPSR1TSHR

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
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD S100A4 4883/4885NR3C2 1768/4885ESR1 2372/4885

“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.