SCHEMBL4253124

SCHEMBL4253124

CC1CN(c2ccc(C(F)(F)F)cn2)C(C)CN1Cc1c[nH]nc1-c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
KDM1A O60341 4/20 0.40
SGPL1 O95470 3/20 0.39
CXCR3 P49682 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
SMO Q99835 2/20 0.33
KIF11 P52732 1/20 0.33
CCR6 P51684 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL14319883 0.89 CXCR3 (0.37) SGPL1CXCR3SMO
SCHEMBL13590950 0.88 MAOB (0.46) MAOBKDM1ASGPL1CXCR3SMO
SCHEMBL13590948 0.88 MAOB (0.46) MAOBKDM1ASGPL1CXCR3SMO
SCHEMBL4245769 0.88 MAOB (0.46) MAOBKDM1ASGPL1CXCR3SMO
SCHEMBL13590947 0.87 MAOB (0.45) MAOBKDM1ASGPL1CXCR3SMO
SCHEMBL13590946 0.87 MAOB (0.45) MAOBKDM1ASGPL1CXCR3SMO
SCHEMBL4249119 0.87 MAOB (0.45) MAOBKDM1ASGPL1CXCR3SMO
SCHEMBL4248356 0.84 MAOB (0.43) MAOBKDM1ASGPL1PTGDR2KIF11
SCHEMBL4245271 0.84 MAOB (0.45) MAOBKDM1ASGPL1SMOKIF11
SCHEMBL4242790 0.81 MAOB (0.46) MAOBKDM1ASGPL1SMO

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
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
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 MAOB 3474/4885KDM1A 2220/4885SGPL1 656/4885

“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.