SCHEMBL17324741

SCHEMBL17324741

CC(=O)c1cn2ccncc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.61
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
ROCK1 Q13464 1/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 3/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
DRD4 P21917 1/20 0.34
TP53 P04637 1/20 0.33
PKM P14618 2/20 0.33

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
SCHEMBL1812266 0.84 HRH4 (0.58) HRH4CLK1DYRK1AROCK1PDE3B
SCHEMBL12466875 0.83 HRH4 (0.57) HRH4CLK1DYRK1AROCK1PDE3B
SCHEMBL19997261 0.82 HRH4 (0.57) HRH4CLK1DYRK1AROCK1PDE3B
SCHEMBL17321412 0.82 HRH4 (0.57) HRH4CLK1DYRK1AROCK1PDE3B
SCHEMBL30828868 0.82 HRH4 (0.57) HRH4CLK1DYRK1AROCK1PDE3B
SCHEMBL30980411 0.79 CYP1A2 (0.61) HRH4CLK1DYRK1AROCK1PTGS1
SCHEMBL2922016 0.79 KDM4E (0.63) HRH4MAPTCYP1A2KDM4EPOLB
SCHEMBL25139484 0.77 HRH4 (0.52) HRH4CLK1DYRK1AROCK1PDE3B
SCHEMBL8524119 0.76 HRH4 (0.50) HRH4CLK1DYRK1AROCK1PDE3B
SCHEMBL17169816 0.74 NAMPT (0.44) HRH4DYRK1AROCK1PTGS1PTGS2

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 HRH4 3706/4885CLK1 2214/4885DYRK1A 1106/4885

“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.