SCHEMBL17790230

SCHEMBL17790230

CNCc1ccc(F)c(C(=O)NCC(C)(C)O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.50
▸ PPARG P37231 1/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ MMP13 P45452 1/20 0.40
▸ CHRM1 P11229 2/20 0.39
▸ WDR5 P61964 2/20 0.39
▸ DDR1 Q08345 1/20 0.38
▸ ESRRG P62508 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL19954181 0.86 ROCK2 (0.48) ROCK2PPARGEPHX2NR1H4MMP13
SCHEMBL17790225 0.83 PARP1 (0.47) ROCK2PPARGEPHX2NR1H4MMP13
SCHEMBL17790220 0.76 MRGPRX4 (0.47) ROCK2EPHX2NR1H4PARP1LMNA
SCHEMBL17790223 0.75 ROCK2 (0.53) ROCK2PPARGNR1H4MMP13LMNA
SCHEMBL17790264 0.74 HPGD (0.51) ROCK2PARP1LMNA
SCHEMBL28713540 0.74 L3MBTL1 (0.48) PPARGEPHX2NR1H4MMP13WDR5
SCHEMBL6126432 0.70 CHRM1 (0.37) ROCK2CHRM1ESRRGCYP2C9MAPK14
SCHEMBL7455336 0.70 PDE10A (0.43) ROCK2CHRM1ESRRGCYP2C9MAPK14
SCHEMBL7452106 0.70 CFTR (0.41) CHRM1CYP2C9MAPK14CNR2JAK2
SCHEMBL7452112 0.70 CFTR (0.47) CYP2C9MAPK14CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4/4885PPARG 2505/4885EPHX2 2227/4885

“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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