SCHEMBL17324744

SCHEMBL17324744

CC(=O)c1cn2ccnc(Cl)c2n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.45
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
TMIGD3 P0DMS9 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
EPHB4 P54760 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
AURKA O14965 2/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7355933 0.85 ROCK1 (0.46) ROCK1ALDH1A1L3MBTL1ADORA3TMIGD3
SCHEMBL17321402 0.83 ROCK1 (0.43) ROCK1ALDH1A1L3MBTL1ADORA3TMIGD3
SCHEMBL19997306 0.83 ROCK1 (0.43) ROCK1ALDH1A1L3MBTL1ADORA3TMIGD3
SCHEMBL14605053 0.83 ROCK1 (0.45) ROCK1ALDH1A1TMIGD3KDM4EHPGD
SCHEMBL6934846 0.80 KDM4E (0.56) ROCK1ALDH1A1KDM4EHPGD
SCHEMBL2179459 0.74 L3MBTL1 (0.41) ROCK1ALDH1A1L3MBTL1KDM4EHPGD
Bromide SCHEMBL17873904 0.73 L3MBTL1 (0.40) ROCK1ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL20595996 0.72 KDM4E (0.43) ALDH1A1L3MBTL1KDM4EHPGDMAPT
SCHEMBL16283544 0.72 PDE10A (0.49)
SCHEMBL14644414 0.71 ROCK1 (0.35) ROCK1ALDH1A1L3MBTL1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ROCK1 3/4885ALDH1A1 2590/4885L3MBTL1 4660/4885

“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.