SCHEMBL4253765

SCHEMBL4253765

CNC(=O)c1cc(-c2n[nH]cc2CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 5/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
CETP P11597 1/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IDE P14735 1/20 0.39
AR P10275 1/20 0.38
MAPT P10636 1/20 0.38
HSD11B1 P28845 1/20 0.38
CNR2 P34972 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
RET P07949 2/20 0.37

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
SCHEMBL4242734 0.91 SMO (0.42) SMOPPARGPPARDPPARAKDM4E
SCHEMBL4247115 0.87 SMO (0.44) SMOPPARGPPARDPPARAKDM4E
SCHEMBL4250993 0.81 MAOB (0.47) SMOPPARGPPARDPPARAKDM4E
SCHEMBL4246923 0.81 SMO (0.61) SMOPPARGPPARDPPARASMN1; SMN2
SCHEMBL4071799 0.78 MAOB (0.50) SMOPPARGPPARDPPARASMN1; SMN2
SCHEMBL4398116 0.78 SMN1; SMN2 (0.49) SMOPPARGPPARDPPARAKDM4E
SCHEMBL4074520 0.78 SMN1; SMN2 (0.46) PPARGPPARDPPARAKDM4EPOLB
SCHEMBL4248525 0.78 PARP1 (0.48) SMOPPARGPPARDPPARAKDM4E
SCHEMBL4249628 0.77 SMN1; SMN2 (0.48) PPARGPPARDPPARAKDM4ESMN1; SMN2
SCHEMBL4253769 0.77 USP30 (0.36) SMOAR

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 SMO 1890/4885PPARG 3732/4885PPARD 4433/4885

“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.