SCHEMBL19209038

SCHEMBL19209038

CCC(N)C(=O)Nc1cccc(F)c1C(=O)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
HTT P42858 1/20 0.44
NOD2 Q9HC29 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 3/20 0.42
F10 P00742 1/20 0.42
TRPA1 O75762 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
PLK1 P53350 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL19209037 1.00 GAA (0.44) GAAJAK2JAK1TYK2HTT
SCHEMBL19576325 0.86 KMT2A (0.49) GAAJAK2JAK1TYK2HTT
SCHEMBL19935743 0.86 KMT2A (0.49) GAAJAK2JAK1TYK2HTT
SCHEMBL28043044 0.86 PLK1 (0.49) GAARAB9ALMNAALDH1A1PLK1
SCHEMBL28499579 0.85 KCNQ2 (0.48) GAAJAK2JAK1TYK2MEN1
SCHEMBL16583355 0.83 MEN1 (0.44) GAAJAK2JAK1TYK2HTT
SCHEMBL19576319 0.83 GAA (0.43) GAAJAK2JAK1TYK2HTT
SCHEMBL26741098 0.81 SMN1; SMN2 (0.58) GAAHTTMEN1KMT2ARAB9A
SCHEMBL26741094 0.81 SMN1; SMN2 (0.58) GAAHTTMEN1KMT2ARAB9A
SCHEMBL16345869 0.81 GAA (0.48) GAAJAK2JAK1TYK2HTT

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-20190040066-A1 PROCESS FOR THE PREPARATION OF PHOSPHATIDYLINOSITOL 3-KINASE INHIBITOR LUPIN LIMITED (IN) 2019-02-07 US disclosed
EP-3411376-A1 A PROCESS FOR THE PREPARATION OF PHOSPHATIDYLINOSITOL 3-KINASE INHIBITOR Lupin Limited (IN) 2018-12-12 EP disclosed
WO-2017134607-A1 A PROCESS FOR THE PREPARATION OF PHOSPHATIDYLINOSITOL 3-KINASE INHIBITOR LUPIN LIMITED (IN) 2017-08-10 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-20190040066-A1 PROCESS FOR THE PREPARATION OF PHOSPHATIDYLINOSITOL 3-KINASE INHIBITOR PIK3CA, PIK3C2B, PIK3CD GAA 1160/4885JAK2 433/4885JAK1 158/4885

“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.