SCHEMBL4254360

SCHEMBL4254360

Fc1ccc(-c2n[nH]cc2CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.56
KDM4E B2RXH2 5/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
DHFR P00374 1/20 0.53
MAPT P10636 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
XBP1 P17861 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMO Q99835 1/20 0.52
POLB P06746 2/20 0.51
TP53 P04637 3/20 0.49
SIGMAR1 Q99720 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL4240754 0.87 MAPT (0.53) HTR7KDM4EMAPTLMNAL3MBTL1
SCHEMBL4249859 0.86 SLC6A4 (0.51) HTR7MAPTLMNAGAAALDH1A1
SCHEMBL27768787 0.85 SMO (0.60) HTR7KDM4ETDP1ALOX15TSHR
SCHEMBL4253037 0.84 MAPT (0.60) HTR7KDM4EMAPTLMNAL3MBTL1
SCHEMBL4248453 0.82 KDM4E (0.52) HTR7KDM4ETSHRMAPTLMNA
SCHEMBL4249510 0.82 MAPT (0.45) HTR7KDM4ETDP1MAPTNPSR1
SCHEMBL4395117 0.81 SLC6A2 (0.50) HTR7KDM4ETDP1MAPTNPSR1
SCHEMBL4243305 0.81 MAPT (0.48) HTR7KDM4EMAPTLMNASMO
SCHEMBL4396039 0.81 MAPT (0.47) HTR7KDM4ETDP1MAPTNPSR1
SCHEMBL4391668 0.79 MAPT (0.54) HTR7KDM4EMAPTNPSR1LMNA

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 HTR7 4640/4885KDM4E 1856/4885TDP1 1634/4885

“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.