SCHEMBL16345052

SCHEMBL16345052

O=C(O)c1ccc2c3ccncc3n(CC(F)(F)F)c2c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 11/20 0.66
▸ METAP2 P50579 4/20 0.44
▸ PARP1 P09874 2/20 0.43
▸ CSNK2A1 P68400 1/20 0.42
▸ PTGER4 P35408 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ RORC P51449 1/20 0.41

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
SCHEMBL16377373 0.85 ROCK2 (0.64) ROCK2METAP2PARP1CSNK2A1CSNK2A2
SCHEMBL16344952 0.83 ROCK2 (0.48) ROCK2PARP1CSNK2A1PTGER4CSNK2A2
SCHEMBL16345008 0.83 ROCK2 (0.62) ROCK2METAP2PARP1CSNK2A1PTGER4
SCHEMBL18901205 0.82 ROCK2 (0.77) ROCK2METAP2
SCHEMBL16345009 0.81 ROCK2 (0.47) ROCK2PARP1CSNK2A1PTGER4CSNK2A2
SCHEMBL18901407 0.81 ROCK2 (0.47) ROCK2PARP1CSNK2A1PTGER4CSNK2A2
SCHEMBL17783685 0.80 ROCK2 (1.00) ROCK2
SCHEMBL17783683 0.80 ROCK2 (1.00) ROCK2
SCHEMBL18901231 0.79 ROCK2 (0.45) ROCK2PARP1CSNK2A1PTGER4CSNK2A2
SCHEMBL16345968 0.79 ROCK2 (0.62) ROCK2METAP2PARP1CSNK2A1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3016951-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2016-05-11 — — EP disclosed
WO-2015002915-A1 TRICYCLIC PYRI DO-CARBOXAM I D E DERIVATIVES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-08 — — WO disclosed
WO-2015002915-A1 TRICYCLIC PYRI DO-CARBOXAM I D E DERIVATIVES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-08 — — WO 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 4/4885METAP2 3409/4885PARP1 165/4885

“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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