SCHEMBL4246705

SCHEMBL4246705

CC1CN(c2ccc(C(F)(F)F)cn2)CCN1Cc1c[nH]nc1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
SLC6A9 P48067 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
SMO Q99835 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KCNH2 Q12809 1/20 0.39
CXCR3 P49682 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
SGPL1 O95470 1/20 0.39

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
SCHEMBL13592437 0.92 SMO (0.41) SMN1; SMN2HPGDSMOCHRM2CHRM1
SCHEMBL14311332 0.92 SMO (0.41) SMN1; SMN2HPGDSMOCHRM2CHRM1
SCHEMBL4245769 0.89 MAOB (0.46) SMN1; SMN2HPGDSMOCHRM2CHRM1
SCHEMBL13590950 0.89 MAOB (0.46) SMN1; SMN2HPGDSMOCHRM2CHRM1
SCHEMBL13590948 0.89 MAOB (0.46) SMN1; SMN2HPGDSMOCHRM2CHRM1
SCHEMBL4251443 0.89 L3MBTL1 (0.44) L3MBTL1SLC6A9SMN1; SMN2HPGDSMO
SCHEMBL4252387 0.84 SMN1; SMN2 (0.53) L3MBTL1SMN1; SMN2HPGDSMOTDP1
SCHEMBL4398201 0.83 PTGDR2 (0.42) L3MBTL1SMN1; SMN2SMOTDP1LMNA
SCHEMBL4398116 0.81 SMN1; SMN2 (0.49) L3MBTL1SMN1; SMN2HPGDSMOLMNA
SCHEMBL11917589 0.81 SMN1; SMN2 (0.40) SMN1; SMN2HPGDSMOCHRM2CHRM1

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 L3MBTL1 1924/4885SLC6A9 4070/4885SMN1; SMN2 3497/4885

“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.