SCHEMBL4245769

SCHEMBL4245769

CC1CN(c2ccc(C(F)(F)F)cn2)CCN1Cc1c[nH]nc1-c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
SGPL1 O95470 3/20 0.41
KDM1A O60341 1/20 0.40
SMO Q99835 5/20 0.40
CHRM4 P08173 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
LMNA P02545 1/20 0.37
CXCR3 P49682 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL13590950 1.00 MAOB (0.46) MAOBSGPL1KDM1ASMOCHRM4
SCHEMBL13590948 1.00 MAOB (0.46) MAOBSGPL1KDM1ASMOCHRM4
SCHEMBL4247857 0.91 MAOB (0.46) MAOBSGPL1KDM1ASMOSMN1; SMN2
SCHEMBL4242790 0.91 MAOB (0.46) MAOBSGPL1KDM1ASMOSMN1; SMN2
SCHEMBL4242799 0.91 MAOB (0.46) MAOBSGPL1KDM1ASMOSMN1; SMN2
SCHEMBL4243742 0.90 MAOB (0.44) MAOBSGPL1KDM1ASMOSMN1; SMN2
SCHEMBL4240400 0.90 MAOB (0.44) MAOBSGPL1KDM1ASMOSMN1; SMN2
SCHEMBL4240398 0.90 MAOB (0.44) MAOBSGPL1KDM1ASMOSMN1; SMN2
SCHEMBL4246705 0.89 L3MBTL1 (0.42) SGPL1SMOSMN1; SMN2HPGDCHRM2
SCHEMBL13592437 0.89 SMO (0.41) SGPL1SMOSMN1; SMN2HPGDCHRM2

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 3474/4885SGPL1 656/4885KDM1A 2220/4885

“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.