SCHEMBL939975

SCHEMBL939975

CC(Cl)C(=O)Nc1cccnc1C(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PRKCI P41743 1/20 0.45
GRM4 Q14833 2/20 0.44
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
KDR P35968 1/20 0.43
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42

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
SCHEMBL27806573 0.85 L3MBTL1 (0.49) L3MBTL1KDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL5240286 0.79 KDR (0.58) ATRKDR
SCHEMBL16345921 0.79 CYP1A2 (0.63) L3MBTL1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL10094236 0.76 ATR (0.55) ATRKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL2516508 0.76 ALDH1A1 (0.67) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
Water SCHEMBL27691964 0.75 ALDH1A1 (0.65) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5936350 0.74 HTT (0.60) ATRL3MBTL1KDM4ESMN1; SMN2MAPT
SCHEMBL10897100 0.74 L3MBTL1 (0.56) L3MBTL1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL16345869 0.74 GAA (0.48) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5233340 0.73 KCNK3 (0.55) L3MBTL1KDM4ESMN1; SMN2MAPTHSD17B10

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-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
EP-2220089-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2010-08-25 EP disclosed
WO-2009064802-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ELI LILLY & CO. (US) 2009-05-22 WO disclosed
WO-2009064802-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ELI LILLY & CO. (US) 2009-05-22 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-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA PIK3CD, PI4KB, PI4KA ATR 1585/4885L3MBTL1 1974/4885KDM4E 2922/4885

“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.