SCHEMBL3501386

SCHEMBL3501386

NC(C(=O)Nc1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.64
ROCK1 Q13464 3/20 0.64
HTT P42858 1/20 0.63
JAK2 O60674 1/20 0.63
TYK2 P29597 1/20 0.63
POLB P06746 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
STAT3 P40763 1/20 0.61
KDM4E B2RXH2 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NAMPT P43490 3/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
KCNK3 O14649 1/20 0.54
NT5E P21589 1/20 0.52
GAA P10253 1/20 0.51
HDAC1 Q13547 2/20 0.51

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
SCHEMBL5007790 0.87 ROCK2 (0.64) ROCK2ROCK1HTTJAK2TYK2
SCHEMBL3502315 0.85 NAMPT (0.60) ROCK2ROCK1HTTJAK2TYK2
SCHEMBL3502467 0.85 ROCK2 (0.63) ROCK2ROCK1HTTJAK2TYK2
SCHEMBL3502765 0.85 NAMPT (0.60) ROCK2ROCK1HTTJAK2TYK2
SCHEMBL2793413 0.85 ROCK2 (0.63) ROCK2ROCK1HTTJAK2TYK2
SCHEMBL3502319 0.85 NAMPT (0.60) ROCK2ROCK1HTTJAK2TYK2
SCHEMBL5466401 0.85 ROCK2 (0.69) ROCK2ROCK1HTTJAK2TYK2
Hydrochloric Acid SCHEMBL3502897 0.84 NAMPT (0.59) ROCK2ROCK1HTTJAK2TYK2
Hydrochloric Acid SCHEMBL3504708 0.84 NAMPT (0.59) ROCK2ROCK1HTTJAK2TYK2
Hydrochloric Acid SCHEMBL27714090 0.84 NAMPT (0.59) ROCK2ROCK1HTTJAK2TYK2

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 ROCK2 24/4885ROCK1 10/4885HTT 875/4885

“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.