SCHEMBL2594050

SCHEMBL2594050

C1=C(c2ccc3nc(OC4CCN(Cc5ccccc5)CC4)sc3c2)CCNC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.42
ROCK1 Q13464 2/20 0.41
ROCK2 O75116 1/20 0.41
CCR2 P41597 1/20 0.41
LTA4H P09960 6/20 0.41
HRH3 Q9Y5N1 1/20 0.39
BRD4 O60885 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
KCNH2 Q12809 4/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL16005681 0.82 LTA4H (0.45) CHEK2ROCK1ROCK2CCR2LTA4H
SCHEMBL2585694 0.82 LTA4H (0.42) CHEK2ROCK1ROCK2CCR2LTA4H
SCHEMBL16015962 0.80 SIGMAR1 (0.37) BRD4KCNH2SIGMAR1
SCHEMBL2583777 0.79 GPR119 (0.41)
SCHEMBL2591961 0.79 HRH3 (0.36) HRH3BRD4KCNH2
SCHEMBL12178006 0.79 NAMPT (0.44) CHEK2LTA4HBCHEACHEKCNH2
SCHEMBL2585277 0.78 GPR119 (0.57) CHEK2LTA4HBCHEACHEDRD2
SCHEMBL2594071 0.78 SCD (0.37)
SCHEMBL14731949 0.78 BCHE (0.38) CHEK2ROCK1ROCK2CCR2LTA4H
SCHEMBL2592883 0.78 LTA4H (0.48) CHEK2ROCK1ROCK2CCR2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
EP-2566860-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 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-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 CHEK2 2690/4885ROCK1 2427/4885ROCK2 2061/4885

“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.