SCHEMBL3502633

SCHEMBL3502633

NC(C(=O)NCCc1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
NAMPT P43490 3/20 0.55
ROCK2 O75116 3/20 0.54
ROCK1 Q13464 3/20 0.54
JAK2 O60674 1/20 0.52
TYK2 P29597 1/20 0.52
POLB P06746 1/20 0.51
STAT3 P40763 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
LMNA P02545 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL3502656 0.89 NAMPT (0.57) RAB9ANAMPTROCK2ROCK1SMN1; SMN2
SCHEMBL3502765 0.89 NAMPT (0.60) NAMPTROCK2ROCK1JAK2TYK2
SCHEMBL3502315 0.89 NAMPT (0.60) NAMPTROCK2ROCK1JAK2TYK2
SCHEMBL3502319 0.89 NAMPT (0.60) NAMPTROCK2ROCK1JAK2TYK2
Hydrochloric Acid SCHEMBL27714090 0.88 NAMPT (0.59) NAMPTROCK2ROCK1JAK2TYK2
Hydrochloric Acid SCHEMBL3502897 0.88 NAMPT (0.59) NAMPTROCK2ROCK1JAK2TYK2
Hydrochloric Acid SCHEMBL3504708 0.88 NAMPT (0.59) NAMPTROCK2ROCK1JAK2TYK2
SCHEMBL2790576 0.85 RAB9A (0.54) RAB9ANAMPTROCK2ROCK1JAK2
SCHEMBL3500616 0.84 ROCK2 (0.51) RAB9ANAMPTROCK2ROCK1JAK2
SCHEMBL3501386 0.83 ROCK2 (0.64) RAB9ANAMPTROCK2ROCK1JAK2

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-20100190788-A1 Amide derivatives as kinase inhitors DEVGEN N.V. (BE) 2010-07-29 US claimed
US-20100190788-A1 Amide derivatives as kinase inhitors DEVGEN N.V. (BE) 2010-07-29 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-20100190788-A1 Amide derivatives as kinase inhitors MAP3K1, MAPK1, MAP3K21 RAB9A 1331/4885NAMPT 817/4885ROCK2 24/4885

“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.