SCHEMBL16377166

SCHEMBL16377166

O=C(Cc1ccccc1)Nc1ccc2c(c1)[nH]c1cnccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 1.00
CCKBR P32239 1/20 0.55
NAMPT P43490 1/20 0.54
NPY5R Q15761 2/20 0.53
AURKA O14965 1/20 0.51
ROCK1 Q13464 1/20 0.51
PSMB8 P28062 1/20 0.50
KDM6B O15054 1/20 0.49
KDM4D Q6B0I6 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
EPHX2 P34913 1/20 0.48
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL16345185 0.88 ROCK2 (1.00) ROCK2NPY5RPSMB8KDM4EALDH1A1
SCHEMBL16344604 0.88 ROCK2 (1.00) ROCK2NPY5RROCK1PSMB8
SCHEMBL16345632 0.85 ROCK2 (1.00) ROCK2NPY5RROCK1PSMB8ALDH1A1
SCHEMBL147307 0.85 ROCK2 (0.73) ROCK2CCKBRNAMPTNPY5REPHX2
SCHEMBL4728731 0.77 CCKBR (0.65) ROCK2CCKBRNAMPTNPY5RAURKA
SCHEMBL16344614 0.77 ROCK2 (1.00) ROCK2NPY5R
SCHEMBL24735962 0.76 IMPDH2 (0.69) ROCK2ROCK1KDM4EALDH1A1
SCHEMBL18901228 0.74 ROCK2 (0.74) ROCK2ROCK1
SCHEMBL149424 0.73 ROCK2 (0.58) ROCK2NPY5RAURKA
SCHEMBL149496 0.73 ROCK2 (0.58) ROCK2AURKAPSMB8

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
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
WO-2015002926-A1 TRICYCLIC PYRIDO-CARBOXAMIDE 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-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ROCK2 4/4885CCKBR 2196/4885NAMPT 911/4885

“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.