SCHEMBL1076335

SCHEMBL1076335

CC1CN(Cc2c[nH]nc2-c2cc(C#N)cc(=O)[nH]2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 3/20 0.40
CXCR3 P49682 7/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
PARP1 P09874 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RET P07949 1/20 0.34
CETP P11597 1/20 0.33
KMT2A Q03164 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
SCHEMBL1076330 1.00 SGPL1 (0.40) SGPL1CXCR3NR1H2NR1H3PARP1
SCHEMBL1075901 0.90 SGPL1 (0.42) SGPL1CXCR3NR1H2NR1H3PTGDR2
SCHEMBL1075904 0.90 SGPL1 (0.42) SGPL1CXCR3NR1H2NR1H3PTGDR2
SCHEMBL13590947 0.86 MAOB (0.45) SGPL1CXCR3MAOBRET
SCHEMBL4249119 0.86 MAOB (0.45) SGPL1CXCR3MAOBRET
SCHEMBL13590946 0.86 MAOB (0.45) SGPL1CXCR3MAOBRET
SCHEMBL1074960 0.86 NR1H2 (0.39) SGPL1CXCR3NR1H2NR1H3PARP1
SCHEMBL1074955 0.86 NR1H2 (0.39) SGPL1CXCR3NR1H2NR1H3PARP1
SCHEMBL1073689 0.86 SGPL1 (0.40) SGPL1CXCR3NR1H2NR1H3PTGDR2
SCHEMBL1073690 0.86 SGPL1 (0.40) SGPL1CXCR3NR1H2NR1H3PTGDR2

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-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-10-27 US claimed
EP-2274302-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-01-19 EP claimed
WO-2009123948-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-10-08 WO claimed
US-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-10-27 US disclosed
EP-2274302-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-01-19 EP disclosed
WO-2009123948-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-10-08 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-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 SGPL1 656/4885CXCR3 1268/4885NR1H2 2242/4885

“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.