SCHEMBL4154529

SCHEMBL4154529

Oc1c(Cl)cnc2ccncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.40
EGFR P00533 6/20 0.38
GAA P10253 1/20 0.36
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
RPS6KA3 P51812 1/20 0.34
KDM4E B2RXH2 3/20 0.33
SLC22A12 Q96S37 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX15B O15296 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8958018 0.77 MAPK10 (0.43) MAPK10EGFREP300KAT2BKAT8
SCHEMBL5706967 0.76 KDM4E (0.47) GAAKDM4EALDH1A1HTTMEN1
SCHEMBL8461 0.74 GAA (0.45) MAPK10EGFRGAAKDM4ESLC22A12
SCHEMBL13931135 0.73 ERN1 (0.40) MAPK10EGFRKDM4EMEN1HSP90AA1
SCHEMBL2835973 0.73 KDM4C (0.44) MAPK10KDM4ESLC22A12ALDH1A1HTT
SCHEMBL13544937 0.72 KDM4E (0.41) MAPK10EGFRKDM4ESLC22A12HTT
SCHEMBL21143331 0.70 TNF (0.48) KDM4EALDH1A1HTTMEN1LMNA
SCHEMBL277031 0.69 EP300 (0.47) MAPK10EGFREP300KAT2BKAT8
SCHEMBL9218722 0.69 EP300 (0.50) MAPK10EP300KAT2BKAT8RPS6KA3
SCHEMBL10807704 0.69 SLC22A12 (0.37) MAPK10EGFREP300KAT2BKAT8

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-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF REGAN JOHN ROBINSON 2009-07-09 US disclosed
US-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF REGAN JOHN ROBINSON 2009-07-09 US disclosed
US-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF REGAN JOHN ROBINSON 2009-07-09 US disclosed
EP-1730145-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-13 EP disclosed
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-20 US disclosed
WO-2005095401-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-13 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 (2 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-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF NR3C1, NR3C2, MC2R MAPK10 1547/4885EGFR 781/4885GAA 2939/4885
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, MC2R, NR3C2 MAPK10 1564/4885EGFR 744/4885GAA 3072/4885

“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.