SCHEMBL4251297

SCHEMBL4251297

CC1(C)CN(Cc2c[nH]nc2-c2ccc(C#N)cc2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
KDM1A O60341 4/20 0.36
KMT2A Q03164 2/20 0.36
DRD4 P21917 1/20 0.36
GRM2 Q14416 1/20 0.36
CETP P11597 1/20 0.36
KIT P10721 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMO Q99835 1/20 0.34
STAT3 P40763 1/20 0.34
DGAT1 O75907 1/20 0.34
PTPN11 Q06124 1/20 0.34
MGAT2 Q10469 1/20 0.33
CCR6 P51684 1/20 0.33
KIF11 P52732 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
SCHEMBL4252457 0.90 MAOB (0.45) MAOBKDM1AKMT2ADRD4GRM2
SCHEMBL14319882 0.89 KMT2A (0.37) MAOBKMT2ADRD4GRM2LMNA
SCHEMBL4071799 0.85 MAOB (0.50) MAOBKDM1AKMT2ADRD4GRM2
SCHEMBL4250993 0.83 MAOB (0.47) MAOBKMT2ADRD4GRM2CETP
SCHEMBL4255214 0.82 MAOB (0.44) MAOBKDM1AKMT2ACETPLMNA
SCHEMBL13590947 0.81 MAOB (0.45) MAOBKDM1ASMO
SCHEMBL13590946 0.81 MAOB (0.45) MAOBKDM1ASMO
SCHEMBL4249119 0.81 MAOB (0.45) MAOBKDM1ASMO
SCHEMBL4249354 0.81 MAOB (0.43) MAOBKDM1AKMT2ACETPLMNA
SCHEMBL4249351 0.81 MAOB (0.43) MAOBKDM1AKMT2ACETPLMNA

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 2220/4885KMT2A 2991/4885

“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.