SCHEMBL17783464

SCHEMBL17783464

COc1cccc(CNC(=O)c2ccc3c4ccncc4n(CC(F)(F)F)c3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 1.00
▸ ROCK1 Q13464 3/20 0.56
▸ PRKACA P17612 2/20 0.56
▸ PRKX P51817 2/20 0.56
▸ PRKCQ Q04759 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ GSK3A P49840 1/20 0.56
▸ GSK3B P49841 1/20 0.56
▸ CLK4 Q9HAZ1 1/20 0.56
▸ AURKA O14965 1/20 0.54
▸ GRK5 P34947 1/20 0.53

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
SCHEMBL17783487 0.89 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKXPRKCQ
SCHEMBL18901205 0.87 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL17783409 0.85 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKXPRKCQ
SCHEMBL17783698 0.82 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKXPRKCQ
SCHEMBL17783584 0.80 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL16347521 0.80 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKXPRKCQ
SCHEMBL16377373 0.79 ROCK2 (0.64) ROCK2
SCHEMBL17783342 0.78 ROCK2 (1.00) ROCK2
SCHEMBL17783468 0.77 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKXPRKCQ
SCHEMBL17783589 0.76 ROCK2 (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 — — EP claimed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 — — US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 — — US disclosed
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 — — EP disclosed
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 — — EP disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — US disclosed
US-20160152628-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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ROCK2 4/4885ROCK1 3/4885PRKACA 281/4885

“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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