SCHEMBL16377262

SCHEMBL16377262

C=CCn1c(=O)c2cnccc2c2ccc(C(=O)OC)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.64
CSNK2A1 P68400 2/20 0.48
PARP1 P09874 1/20 0.48
PTGER4 P35408 1/20 0.44
LMNA P02545 1/20 0.43
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 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
SCHEMBL16377261 0.87 ROCK2 (0.63) ROCK2CSNK2A1PARP1LMNACSNK2A2
SCHEMBL16346033 0.87 ROCK2 (0.65) ROCK2CSNK2A1PARP1KDM4EALDH1A1
SCHEMBL16344950 0.84 ROCK2 (0.70) ROCK2CSNK2A1PARP1PTGER4KDM4E
SCHEMBL16345576 0.82 ROCK2 (0.65) ROCK2CSNK2A1PARP1CSNK2A2CSNK2B
SCHEMBL18901219 0.81 ROCK2 (0.56) ROCK2LMNAKDM4EMAPTHSD17B10
SCHEMBL16345205 0.79 ROCK2 (1.00) ROCK2
SCHEMBL16377292 0.79 ROCK2 (1.00) ROCK2
SCHEMBL17788679 0.77 ROCK2 (0.61) ROCK2CSNK2A1PARP1PTGER4KDM4E
SCHEMBL16346032 0.74 ROCK2 (0.71) ROCK2CSNK2A1PARP1PTGER4CSNK2A2
SCHEMBL16347523 0.74 ROCK2 (0.61) ROCK2CSNK2A1PARP1CSNK2A2CSNK2B

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 ROCK2 4/4885CSNK2A1 681/4885PARP1 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.