SCHEMBL4249647

SCHEMBL4249647

Cc1cccc(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.48
MAPK1 P28482 2/20 0.48
GAA P10253 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 1/20 0.44
HTR7 P34969 1/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL4242887 0.84 DRD4 (0.55) MAPK1LMNAPOLBNPSR1ALDH1A1
SCHEMBL4254706 0.84 MAPK1 (0.67) MAPK1LMNAPOLBNPSR1ALDH1A1
SCHEMBL4248943 0.83 DRD2 (0.52) MAPK1POLBNPSR1ALDH1A1KDM4E
SCHEMBL4255272 0.83 LMNA (0.48) MAPK1GAALMNAPOLBNPSR1
SCHEMBL4252223 0.82 POLB (0.68) MAPK1POLBNPSR1ALDH1A1KDM4E
SCHEMBL4249994 0.81 NPC1 (0.51) MAPK1GAALMNAPOLBNPSR1
SCHEMBL4253037 0.81 MAPT (0.60) MAPK1LMNAALDH1A1KDM4EMAPT
SCHEMBL4240742 0.80 GRM2 (0.44) MAPK1LMNAPOLBNPSR1KDM4E
SCHEMBL4391668 0.80 MAPT (0.54) MAPK1LMNAPOLBNPSR1ALDH1A1
SCHEMBL4243305 0.80 MAPT (0.48) MAPK1LMNAPOLBALDH1A1KDM4E

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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN 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
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN 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 REV1 3488/4885MAPK1 1058/4885GAA 2079/4885

“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.