SCHEMBL2790925

SCHEMBL2790925

Cc1ccc(CCNC(=O)CC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NAMPT P43490 6/20 0.55
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.42
HDAC1 Q13547 1/20 0.41

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
SCHEMBL2792960 0.90 NAMPT (0.53) RAB9ANPC1SMN1; SMN2NAMPTROCK2
SCHEMBL2792181 0.90 ROCK2 (0.51) RAB9ANPC1SMN1; SMN2NAMPTROCK2
SCHEMBL2793989 0.90 NAMPT (0.55) RAB9ANPC1SMN1; SMN2NAMPTROCK2
SCHEMBL2793307 0.90 NT5E (0.55) RAB9ANPC1SMN1; SMN2NAMPTROCK2
SCHEMBL2790576 0.90 RAB9A (0.54) RAB9ASMN1; SMN2NAMPTROCK2ROCK1
SCHEMBL2792068 0.90 NAMPT (0.60) RAB9ASMN1; SMN2NAMPTROCK2ROCK1
SCHEMBL2794919 0.89 HIF1A (0.52) NAMPTROCK2ROCK1KDM4EL3MBTL1
SCHEMBL2793459 0.86 ROCK2 (0.61) RAB9ANPC1SMN1; SMN2NAMPTROCK2
SCHEMBL2790105 0.85 HDAC1 (0.51) RAB9ANPC1SMN1; SMN2NAMPTROCK2
SCHEMBL2792457 0.85 MEN1 (0.59) RAB9ANAMPTROCK2ROCK1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 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 (2 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-20100168102-A9 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 RAB9A 2781/4885NPC1 1738/4885SMN1; SMN2 3334/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 RAB9A 2781/4885NPC1 1738/4885SMN1; SMN2 3334/4885

“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.