SCHEMBL4250993

SCHEMBL4250993

N#Cc1ccc(-c2n[nH]cc2CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.43
DRD4 P21917 1/20 0.41
GRM2 Q14416 1/20 0.41
AR P10275 1/20 0.41
KCNH2 Q12809 1/20 0.41
SMO Q99835 4/20 0.41
KDM4E B2RXH2 2/20 0.41
CETP P11597 1/20 0.40
PARP1 P09874 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4071799 0.96 MAOB (0.50) MAOBSMN1; SMN2LMNAKMT2ADRD4
SCHEMBL4398116 0.89 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKMT2ADRD4GRM2
SCHEMBL4252387 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNAKMT2ADRD4GRM2
SCHEMBL4247565 0.84 SMN1; SMN2 (0.52) SMN1; SMN2LMNAKMT2ADRD4GRM2
SCHEMBL4398189 0.84 SMN1; SMN2 (0.52) SMN1; SMN2LMNAKMT2ADRD4GRM2
SCHEMBL4251297 0.83 MAOB (0.45) MAOBSMN1; SMN2LMNAKMT2ADRD4
SCHEMBL4242734 0.83 SMO (0.42) SMN1; SMN2LMNAKMT2ASMOKDM4E
SCHEMBL4246923 0.83 SMO (0.61) SMN1; SMN2LMNAKMT2ADRD4GRM2
SCHEMBL4248465 0.83 SMO (0.46) DRD4SMOKDM4EPARP1
SCHEMBL4249833 0.83 GPR39 (0.48) DRD4ARKCNH2SMOPARP1

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 MAOB 3474/4885SMN1; SMN2 3497/4885LMNA 2895/4885

“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.