SCHEMBL4249119

SCHEMBL4249119

CC1CN(Cc2c[nH]nc2-c2ccc(C#N)cc2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
SGPL1 O95470 4/20 0.43
KDM1A O60341 3/20 0.40
CXCR3 P49682 6/20 0.38
SMO Q99835 4/20 0.38
RET P07949 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
SCHEMBL13590947 1.00 MAOB (0.45) MAOBSGPL1KDM1ACXCR3SMO
SCHEMBL13590946 1.00 MAOB (0.45) MAOBSGPL1KDM1ACXCR3SMO
SCHEMBL4242479 0.91 SGPL1 (0.45) MAOBSGPL1CXCR3SMO
SCHEMBL4247547 0.91 MAOB (0.46) MAOBSGPL1KDM1ASMO
SCHEMBL4068716 0.91 MAOB (0.46) MAOBSGPL1KDM1ASMO
SCHEMBL4068707 0.91 MAOB (0.46) MAOBSGPL1KDM1ASMO
SCHEMBL4255214 0.90 MAOB (0.44) MAOBSGPL1KDM1ACXCR3SMO
SCHEMBL4251784 0.90 SGPL1 (0.39) MAOBSGPL1CXCR3SMORET
SCHEMBL4398201 0.90 PTGDR2 (0.42) SGPL1CXCR3SMO
SCHEMBL4249354 0.89 MAOB (0.43) MAOBSGPL1KDM1ASMO

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.