SCHEMBL4244480

SCHEMBL4244480

COc1ccc(-c2n[nH]cc2CN2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 3/20 0.51
MAPT P10636 2/20 0.51
DRD4 P21917 3/20 0.48
DRD3 P35462 3/20 0.48
HTT P42858 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 5/20 0.48
HTR1A P08908 1/20 0.46
DRD2 P14416 2/20 0.46
TSHR P16473 1/20 0.45
KMT2A Q03164 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL4254056 0.89 DRD4 (0.56) LMNAALDH1A1MAPTDRD4DRD3
SCHEMBL4252062 0.87 KDM4E (0.59) LMNAMAPK1MAPTDRD4DRD3
SCHEMBL4251913 0.82 HTR7 (0.67) LMNAALDH1A1MAPK1MAPTDRD4
SCHEMBL4245119 0.82 SMN1; SMN2 (0.50) LMNAMAPK1MAPTDRD4HTT
SCHEMBL4247969 0.81 ALDH1A1 (0.57) ALDH1A1MAPTDRD4DRD3NPSR1
SCHEMBL12204385 0.79 MEN1 (0.60) LMNAALDH1A1MAPTDRD4DRD3
SCHEMBL4395226 0.78 MAPT (0.67) LMNAALDH1A1MAPK1MAPTDRD4
SCHEMBL4245787 0.78 MAPT (0.67) LMNAALDH1A1MAPK1MAPTDRD4
SCHEMBL27747673 0.76 DRD4 (0.53) LMNAALDH1A1MAPTDRD4HSD17B10
SCHEMBL946686 0.76 LMNA (0.59) LMNAALDH1A1MAPK1DRD4DRD3

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 LMNA 2895/4885ALDH1A1 4470/4885MAPK1 1058/4885

“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.