SCHEMBL4530249

SCHEMBL4530249

Nc1nccc(-c2ccc(NC(=O)[C@@H](Cc3ccccc3)N3CCOCC3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.48
JAK3 P52333 5/20 0.48
ROCK2 O75116 2/20 0.44
MOK Q9UQ07 2/20 0.44
ATR Q13535 2/20 0.44
ALDH1A1 P00352 2/20 0.41
JAK1 P23458 2/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TYK2 P29597 1/20 0.41
IKBKB O14920 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL14338279 0.85 JAK2 (0.56) JAK2JAK3JAK1TYK2
SCHEMBL4631827 0.84 JAK2 (0.42) JAK2JAK3MOKALDH1A1JAK1
SCHEMBL4522473 0.82 ROCK2 (0.51) ROCK2ALDH1A1SMN1; SMN2TSHR
SCHEMBL4537056 0.82 ROCK2 (0.51) ROCK2ALDH1A1SMN1; SMN2TSHR
SCHEMBL4525858 0.82 JAK2 (0.41) JAK2JAK3MOKALDH1A1JAK1
SCHEMBL14338306 0.81 JAK2 (0.69) JAK2JAK3JAK1HDAC1TYK2
SCHEMBL4526690 0.80 CIT (0.59) JAK2JAK3ROCK2HDAC1IKBKB
SCHEMBL4524041 0.78 KMT2A (0.56) ALDH1A1SMN1; SMN2TSHR
SCHEMBL4519208 0.78 KMT2A (0.56) ALDH1A1SMN1; SMN2TSHR
SCHEMBL14338278 0.77 JAK2 (0.55) JAK2JAK3JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA JAK2 573/4885JAK3 345/4885ROCK2 2/4885

“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.