SCHEMBL2910992

SCHEMBL2910992

COc1ccc(NCc2ccncc2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.56
PGK1 P00558 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GLA P06280 1/20 0.48
GAA P10253 4/20 0.48
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
MAPT P10636 3/20 0.47
PABPC1 P11940 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FLT1 P17948 2/20 0.46
KDR P35968 2/20 0.46
DHFR P00374 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL23409004 0.84 MAPT (0.66) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL2905635 0.83 MAPT (0.71) PGK1KDM4EALDH1A1GAAMAPT
SCHEMBL11935888 0.82 MAPT (0.49) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL2902811 0.78 MAPT (0.64) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL6227614 0.77 MRGPRX1 (0.49) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL1239663 0.76 BCL6 (0.45) MAPTMEN1KMT2AHTTDHFR
SCHEMBL986248 0.75 PDE4A (0.58)
SCHEMBL13565680 0.75 CA1 (0.45) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL11936067 0.75 CA1 (0.45) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL16104412 0.74 LMNA (0.46) KDM4EMAPTMEN1KMT2ANPSR1

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
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B CYP17A1 511/4885PGK1 2973/4885KDM4E 252/4885

“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.