SCHEMBL20250882

SCHEMBL20250882

CCCCCCC(=O)c1cnn2cc(OCC(C)(C)O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.42
▸ PLA2G4A P47712 6/20 0.39
▸ PTPN1 P18031 1/20 0.37
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ STS P08842 2/20 0.35

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
SCHEMBL19675358 0.91 ROCK2 (0.44) ROCK2PLA2G4A
SCHEMBL20250795 0.82 THRA (0.49) —
SCHEMBL15882328 0.82 ROCK2 (0.47) ROCK2
SCHEMBL15882285 0.80 ROCK2 (0.46) ROCK2
SCHEMBL20646745 0.76 ROCK2 (0.40) ROCK2
SCHEMBL21948600 0.75 ROCK2 (0.49) ROCK2
SCHEMBL23889045 0.71 ROCK2 (0.42) ROCK2
SCHEMBL17452792 0.71 ROCK2 (0.38) ROCK2
SCHEMBL23889140 0.71 KMT2A (0.35) ROCK2PLA2G4A
SCHEMBL20646991 0.70 ROCK2 (0.45) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 — — US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 — — 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 (2 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-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ROCK2 5/4885PLA2G4A 1056/4885PTPN1 400/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 ROCK2 5/4885PLA2G4A 1056/4885PTPN1 400/4885

“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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