SCHEMBL17324830

SCHEMBL17324830

CC(=O)c1c2ccccc2nn1CCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.48
▸ POLB P06746 1/20 0.43
▸ TOP2A P11388 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ HTR6 P50406 1/20 0.39
▸ PTGER4 P35408 3/20 0.38
▸ MPO P05164 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KAT2B Q92831 3/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37

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
SCHEMBL15880124 0.89 ROCK1 (0.48) ROCK1POLBTOP2AADRA1AHRH1
SCHEMBL17321546 0.86 ROCK1 (0.47) ROCK1POLBTOP2AADRA1AHRH1
SCHEMBL15880333 0.85 ROCK1 (0.48) ROCK1POLBTOP2AADRA1AHRH1
SCHEMBL17981694 0.84 ATM (0.56) ATMPTGER4MPOHPGDKDM4E
SCHEMBL18073156 0.84 ALDH1A1 (0.48) POLBATMPTGER4MPOHPGD
SCHEMBL17981714 0.79 MPO (0.46) ATMPTGER4MPOKDM4EALDH1A1
SCHEMBL17324739 0.75 KDM5A (0.42) ATMHPGDKDM4EALDH1A1ADORA3
SCHEMBL17324780 0.74 ROCK1 (0.48) ROCK1POLBTOP2AADRA1AHRH1
SCHEMBL4843204 0.72 TOP2A (0.42) ROCK1TOP2AADRA1AHRH1ADRA1B
SCHEMBL19997237 0.72 KAT2B (0.47) ROCK1PTGER4MPOHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 — — US disclosed
EP-3252049-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 — — EP disclosed
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 — — EP disclosed
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 3821/4885TOP2A 529/4885

“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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