SCHEMBL2938460

SCHEMBL2938460

O=C(O)N1CCN(Cc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.74
ALDH1A1 P00352 11/20 0.74
KMT2A Q03164 8/20 0.74
MEN1 O00255 7/20 0.74
TDP1 Q9NUW8 4/20 0.69
NPSR1 Q6W5P4 4/20 0.69
ATM Q13315 3/20 0.69
GAA P10253 1/20 0.69
TSHR P16473 2/20 0.65
ALOX15 P16050 2/20 0.62
POLB P06746 2/20 0.62
TP53 P04637 1/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 1/20 0.62
RECQL P46063 1/20 0.61
MAPT P10636 1/20 0.61
LMNA P02545 2/20 0.59

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
SCHEMBL28864313 0.87 ALDH1A1 (0.95) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL3766741 0.85 ALDH1A1 (0.65) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL3766736 0.85 ALDH1A1 (0.65) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL19970339 0.83 KDM4E (0.54) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL3456878 0.82 EPHX2 (0.71) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL28864301 0.81 ALDH1A1 (0.61) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL15847483 0.81 ALDH1A1 (0.54) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL2708121 0.81 NR1H2 (0.67) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL21802550 0.80 FAAH (0.69) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL29783956 0.80 KDM4E (0.70) KDM4EALDH1A1KMT2AMEN1TDP1

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
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US claimed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US claimed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
CN-101952283-B Imidazo [1,2-a ] pyridine and imidazo [1,2-b ] pyridazine derivatives HOFFMANN LA ROCHE 2013-04-17 CN disclosed
CN-101952283-A Novel imidazo [1,2-a ] pyridine and imidazo [1,2-b ] pyridazine derivatives HOFFMANN LA ROCHE 2011-01-19 CN disclosed
EP-2229390-A1 NOVEL IMIDAZOÝ1,2-A¨PYRIDINE AND IMIDAZOÝ1,2-B¨PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US disclosed
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN KDM4E 738/4885ALDH1A1 4319/4885KMT2A 1922/4885

“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.