SCHEMBL4400020

SCHEMBL4400020

N#Cc1ccc(-c2n[nH]cc2CN2C3CCC2CN(c2ccc(C(F)(F)F)cn2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
KDM1A O60341 3/20 0.41
PARP1 P09874 2/20 0.39
TNK1 Q13470 2/20 0.39
RET P07949 6/20 0.36
ACVR1 Q04771 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CCR6 P51684 1/20 0.36
CETP P11597 1/20 0.36
SMO Q99835 1/20 0.36
MGLL Q99685 1/20 0.36
DGAT1 O75907 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
SCHEMBL13592446 0.88 LMNA (0.39) L3MBTL1SMO
SCHEMBL4248618 0.86 MAOB (0.45) MAOBKDM1APARP1RETACVR1
SCHEMBL4071799 0.83 MAOB (0.50) MAOBKDM1APARP1CETPSMO
SCHEMBL4245769 0.82 MAOB (0.46) MAOBKDM1ASMO
SCHEMBL4242799 0.82 MAOB (0.46) MAOBKDM1AL3MBTL1CETPSMO
SCHEMBL4247857 0.82 MAOB (0.46) MAOBKDM1AL3MBTL1CETPSMO
SCHEMBL13590950 0.82 MAOB (0.46) MAOBKDM1ASMO
SCHEMBL4242790 0.82 MAOB (0.46) MAOBKDM1AL3MBTL1CETPSMO
SCHEMBL13590948 0.82 MAOB (0.46) MAOBKDM1ASMO
SCHEMBL4247755 0.82 MAOB (0.48) MAOBKDM1ARETL3MBTL1CETP

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 3 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
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

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 2220/4885PARP1 2083/4885

“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.