SCHEMBL16377309

SCHEMBL16377309

O=C(O)c1ccc2c(c1)[nH]c(=O)c1cnccc12

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.89
CSNK2A1 P68400 5/20 0.89
CSNK2A2 P19784 3/20 0.53
CSNK2B P67870 3/20 0.53
ROCK2 O75116 4/20 0.53
ROCK1 Q13464 1/20 0.53
DYRK1A Q13627 1/20 0.52

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
SCHEMBL4972014 0.94 PARP1 (1.00) PARP1CSNK2A1CSNK2A2CSNK2BROCK2
SCHEMBL16377113 0.85 PARP1 (0.74) PARP1CSNK2A1CSNK2A2CSNK2BROCK2
SCHEMBL2691509 0.84 PARP1 (0.90) PARP1CSNK2A1CSNK2A2CSNK2BROCK2
SCHEMBL26966710 0.84 PARP1 (0.72) PARP1CSNK2A1CSNK2A2CSNK2BROCK2
SCHEMBL10135321 0.82 PARP1 (0.78) PARP1CSNK2A1CSNK2A2CSNK2BROCK2
SCHEMBL4969510 0.80 PARP1 (1.00) PARP1CSNK2A1CSNK2A2CSNK2B
SCHEMBL6475860 0.80 CSNK2A1 (0.67) PARP1CSNK2A1CSNK2A2CSNK2BROCK2
SCHEMBL629270 0.79 PARP1 (1.00) PARP1CSNK2A1CSNK2A2CSNK2BROCK2
SCHEMBL30704691 0.79 PARP1 (1.00) PARP1CSNK2A1CSNK2A2CSNK2BROCK2
Trifluoroacetic Acid SCHEMBL4824343 0.78 CSNK2A1 (0.64) PARP1CSNK2A1CSNK2A2CSNK2BROCK2

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
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
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US 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 PARP1 165/4885CSNK2A1 681/4885CSNK2A2 682/4885

“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.