SCHEMBL4254706

SCHEMBL4254706

COc1ccccc1N1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.67
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 2/20 0.61
DRD2 P14416 2/20 0.57
DRD4 P21917 2/20 0.57
DRD3 P35462 2/20 0.57
MAPT P10636 1/20 0.57
HTR7 P34969 5/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MEN1 O00255 1/20 0.55
HRH2 P25021 1/20 0.55
HRH1 P35367 1/20 0.55
POLB P06746 1/20 0.54

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
SCHEMBL4250371 0.92 HTR7 (0.65) MAPK1KDM4EALDH1A1KMT2ADRD2
SCHEMBL4251913 0.91 HTR7 (0.67) MAPK1KDM4EALDH1A1KMT2ADRD2
SCHEMBL4252223 0.89 POLB (0.68) MAPK1KDM4EALDH1A1KMT2ADRD2
SCHEMBL4242887 0.88 DRD4 (0.55) MAPK1KDM4EALDH1A1KMT2ADRD2
SCHEMBL4249647 0.84 REV1 (0.48) MAPK1KDM4EALDH1A1KMT2ADRD2
SCHEMBL4247969 0.83 ALDH1A1 (0.57) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL4248943 0.82 DRD2 (0.52) MAPK1KDM4EALDH1A1DRD2DRD4
SCHEMBL4245787 0.81 MAPT (0.67) MAPK1KDM4EALDH1A1KMT2ADRD4
SCHEMBL4395226 0.81 MAPT (0.67) MAPK1KDM4EALDH1A1KMT2ADRD4
SCHEMBL4244867 0.81 DRD4 (0.61) KDM4EALDH1A1KMT2ADRD2DRD4

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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 MAPK1 1058/4885KDM4E 1856/4885ALDH1A1 4470/4885

“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.