SCHEMBL305622

SCHEMBL305622

O=C(O)N1CCC(n2cnc3c(Cl)ncnc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.47
PI4KA P42356 3/20 0.45
PI4K2B Q8TCG2 3/20 0.45
PI4K2A Q9BTU6 3/20 0.45
PI4KB Q9UBF8 3/20 0.45
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA2B P29275 1/20 0.45
YTHDC1 Q96MU7 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADCY5 O95622 7/20 0.43
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
PDE4A P27815 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
SCHEMBL3520158 0.84 ADORA2A (0.69) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL24196376 0.83 ADORA2A (0.65) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL10137696 0.82 CCNA2 (0.50) ADORA2AADORA1CYP1A2CYP3A4NFKB1
SCHEMBL11400740 0.79 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL304697 0.78 GPR119 (0.39) SMN1; SMN2FGFR1FGFR4
SCHEMBL1940586 0.78 SLC22A12 (0.41) FGFR1FGFR4
SCHEMBL17877913 0.76 ADORA2A (0.53) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL1442273 0.76 ADK (0.47) FGFR1FGFR4
SCHEMBL774618 0.76 PNP (0.46) ADORA3TDP1CHKAP2RX7
SCHEMBL28800796 0.76 ADK (0.47) FGFR1FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476283-B2 [6,5]—bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-02 US disclosed
EP-2152707-B1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-06-20 EP disclosed
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-03-29 US disclosed
US-8093257-B2 [6,5]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
EP-2152707-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-02-17 EP disclosed
US-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2008137436-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-13 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 (2 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-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 ADORA2A 68/4885PI4KA 3072/4885PI4K2B 2851/4885
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 ADORA2A 68/4885PI4KA 3072/4885PI4K2B 2851/4885

“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.