SCHEMBL16345009

SCHEMBL16345009

NC(=O)Cn1c2cnccc2c2ccc(C(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 13/20 0.47
▸ PARP1 P09874 2/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ PTGER4 P35408 1/20 0.42
▸ CSNK2A2 P19784 3/20 0.41
▸ CSNK2B P67870 3/20 0.41
▸ HIPK2 Q9H2X6 1/20 0.40

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
SCHEMBL16344952 0.89 ROCK2 (0.48) ROCK2PARP1CSNK2A1PTGER4CSNK2A2
SCHEMBL16345008 0.84 ROCK2 (0.62) ROCK2PARP1CSNK2A1PTGER4HIPK2
SCHEMBL18901407 0.82 ROCK2 (0.47) ROCK2PARP1CSNK2A1PTGER4CSNK2A2
SCHEMBL16345052 0.81 ROCK2 (0.66) ROCK2PARP1CSNK2A1PTGER4CSNK2A2
SCHEMBL3313272 0.80 MAOA (0.45) —
SCHEMBL16345968 0.80 ROCK2 (0.62) ROCK2PARP1CSNK2A1PTGER4CSNK2A2
SCHEMBL18901231 0.80 ROCK2 (0.45) ROCK2PARP1CSNK2A1PTGER4CSNK2A2
SCHEMBL1120324 0.79 KDM4E (0.51) —
SCHEMBL17788678 0.79 ROCK2 (0.47) ROCK2PARP1CSNK2A1PTGER4CSNK2A2
SCHEMBL17788677 0.79 ROCK2 (0.44) ROCK2PARP1CSNK2A1PTGER4CSNK2A2

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 8 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
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 4/4885PARP1 165/4885CSNK2A1 681/4885

“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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