SCHEMBL4247456

SCHEMBL4247456

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(-n3cccc3C#N)cc2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 3/20 0.38
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
DGAT1 O75907 1/20 0.35
MAOB P27338 1/20 0.35
CXCR3 P49682 6/20 0.35
RET P07949 1/20 0.35
SMO Q99835 3/20 0.34
DRD4 P21917 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL4247460 1.00 SGPL1 (0.38) SGPL1NR1H2NR1H3DGAT1MAOB
SCHEMBL4249119 0.88 MAOB (0.45) SGPL1MAOBCXCR3RETSMO
SCHEMBL13590947 0.88 MAOB (0.45) SGPL1MAOBCXCR3RETSMO
SCHEMBL13590946 0.88 MAOB (0.45) SGPL1MAOBCXCR3RETSMO
SCHEMBL4246302 0.87 SGPL1 (0.42) SGPL1NR1H2NR1H3CXCR3SMO
SCHEMBL4251840 0.87 SGPL1 (0.42) SGPL1NR1H2NR1H3CXCR3SMO
SCHEMBL4252274 0.85 SGPL1 (0.38) SGPL1NR1H2NR1H3CXCR3SMO
SCHEMBL4248167 0.85 SGPL1 (0.38) SGPL1NR1H2NR1H3CXCR3SMO
SCHEMBL4251784 0.84 SGPL1 (0.39) SGPL1NR1H2NR1H3DGAT1MAOB
SCHEMBL4398201 0.84 PTGDR2 (0.42) SGPL1NR1H2NR1H3CXCR3SMO

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 10 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
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
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 SGPL1 656/4885NR1H2 2242/4885NR1H3 2386/4885

“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.