SCHEMBL4244408

SCHEMBL4244408

N#Cc1cccnc1N1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.49
DRD2 P14416 6/20 0.48
HTR2A P28223 6/20 0.47
HTR1A P08908 3/20 0.46
HTR7 P34969 3/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4246303 0.85 HTR1A (0.45) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL4245485 0.84 HSD11B1 (0.56) HTR2AHTR1AHTR7MAPT
SCHEMBL4249777 0.82 KDM4E (0.59) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL4252062 0.79 KDM4E (0.59) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL4244848 0.78 DRD2 (0.46) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL4253037 0.77 MAPT (0.60) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL4248465 0.77 SMO (0.46) DRD4DRD2KDM4EMAPT
SCHEMBL4396383 0.77 HTR2C (0.46) DRD2HTR2A
SCHEMBL9961655 0.75 KDM4E (0.43) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL4242887 0.75 DRD4 (0.55) DRD4DRD2HTR2AHTR1AHTR7

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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
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 DRD4 4818/4885DRD2 4806/4885HTR2A 4524/4885

“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.