SCHEMBL17324780

SCHEMBL17324780

CC(=O)c1nn(CCN(C)C)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.48
▸ POLB P06746 1/20 0.43
▸ CNR2 P34972 6/20 0.42
▸ CNR1 P21554 6/20 0.42
▸ CFD P00746 3/20 0.41
▸ TOP2A P11388 1/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR3A P46098 2/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ GLS O94925 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
SCHEMBL15881996 0.89 CYP1A2 (0.50) ROCK1POLBCNR2CNR1ADRA1A
SCHEMBL20250813 0.86 ROCK1 (0.47) ROCK1POLBCNR2CNR1TOP2A
SCHEMBL17321422 0.85 ROCK1 (0.46) ROCK1CNR2CNR1TOP2AHTR3A
SCHEMBL15882102 0.85 ELANE (0.53) ROCK1CNR2CNR1HTR3A
SCHEMBL17176239 0.84 HTR3A (0.54) CNR2CNR1CFDHTR3APARP1
SCHEMBL17324729 0.84 CNR1 (0.44) ROCK1CNR2CNR1CFDHTR3A
SCHEMBL17324753 0.81 CNR1 (0.48) CNR2CNR1CFDHTR3APARP1
SCHEMBL17324818 0.80 KDM4C (0.50) CNR2CNR1HTR3A
SCHEMBL17324730 0.78 CNR1 (0.48) CNR2CNR1HTR3APARP1
SCHEMBL29781847 0.78 HSD17B10 (0.61) ROCK1CFD

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 3/4885POLB 3821/4885CNR2 3572/4885

“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.

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