SCHEMBL1075976

SCHEMBL1075976

N#Cc1c[nH]c(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)C(C(F)(F)F)C2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.36
NR1H3 Q13133 5/20 0.36
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SGPL1 O95470 2/20 0.34
KDM1A O60341 2/20 0.33
SMO Q99835 1/20 0.32
KMT2A Q03164 1/20 0.31
DRD4 P21917 1/20 0.31
GRM2 Q14416 1/20 0.31
CETP P11597 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL1075975 1.00 NR1H2 (0.36) NR1H2NR1H3MAOBLMNASMN1; SMN2
SCHEMBL1075901 0.91 SGPL1 (0.42) NR1H2NR1H3MAOBLMNASMN1; SMN2
SCHEMBL1075904 0.91 SGPL1 (0.42) NR1H2NR1H3MAOBLMNASMN1; SMN2
SCHEMBL4247547 0.88 MAOB (0.46) NR1H2NR1H3MAOBLMNASMN1; SMN2
SCHEMBL4068707 0.88 MAOB (0.46) NR1H2NR1H3MAOBLMNASMN1; SMN2
SCHEMBL4068716 0.88 MAOB (0.46) NR1H2NR1H3MAOBLMNASMN1; SMN2
SCHEMBL1075921 0.84 LMNA (0.36) NR1H2NR1H3LMNASMN1; SMN2PPARG
SCHEMBL1075918 0.84 LMNA (0.36) NR1H2NR1H3LMNASMN1; SMN2PPARG
SCHEMBL1076330 0.81 SGPL1 (0.40) NR1H2NR1H3MAOBLMNASMN1; SMN2
SCHEMBL1076335 0.81 SGPL1 (0.40) NR1H2NR1H3MAOBLMNASMN1; SMN2

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 NR1H2 2242/4885NR1H3 2386/4885MAOB 3474/4885

“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.