SCHEMBL17783801

SCHEMBL17783801

N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4ccc5c(c4)OCc4cnccc4-5)c3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 1.00
▸ AAK1 Q2M2I8 1/20 0.51
▸ ROCK1 Q13464 1/20 0.50

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
SCHEMBL17783798 0.81 ROCK2 (1.00) ROCK2AAK1
SCHEMBL17783799 0.75 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL17790720 0.74 ROCK2 (0.57) ROCK2
SCHEMBL18917074 0.74 ROCK2 (0.86) ROCK2AAK1
SCHEMBL17783822 0.73 ROCK2 (1.00) ROCK2AAK1
SCHEMBL17783816 0.73 ROCK2 (1.00) ROCK2
SCHEMBL17783802 0.73 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL17783831 0.73 ROCK2 (1.00) ROCK2AAK1
SCHEMBL2712569 0.72 L3MBTL1 (0.60) ROCK2
SCHEMBL17783758 0.72 ROCK2 (1.00) ROCK2AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 — — EP claimed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 — — US claimed
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 — — EP disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 — — US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — 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-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ROCK2 4/4885AAK1 2102/4885ROCK1 3/4885

“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.

Send feedback