SCHEMBL1449701

SCHEMBL1449701

O=C(NCCN1CCOCC1)c1ccc(Nc2ncnc3c2OCCN3C2CCN(C(=O)O)CC2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ WDR5 P61964 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CD274 Q9NZQ7 2/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ BTK Q06187 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ PLK3 Q9H4B4 1/20 0.41
▸ PLK2 Q9NYY3 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL1450052 0.95 HPGD (0.42) ERBB2KMT2AWDR5ALDH1A1MAPK1
SCHEMBL1449820 0.91 L3MBTL3 (0.42) ERBB2KMT2AWDR5ALDH1A1AURKA
SCHEMBL11913086 0.90 KMT2A (0.43) ERBB2KMT2AWDR5ALDH1A1MAPK1
SCHEMBL11913089 0.90 KMT2A (0.42) ERBB2KMT2AWDR5ALDH1A1MAPK1
SCHEMBL1449731 0.86 GPR119 (0.39) —
SCHEMBL11913088 0.85 TP53 (0.41) KMT2AWDR5LMNA
SCHEMBL1450288 0.84 GPR119 (0.37) ERBB2
SCHEMBL1449783 0.83 LRRK2 (0.37) ERBB2
SCHEMBL1450900 0.82 GPR119 (0.39) ERBB2KMT2AWDR5ALDH1A1AURKA
SCHEMBL11913087 0.81 LMNA (0.41) KMT2AWDR5LMNASMN1; SMN2

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-8513265-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 — — US disclosed
US-20130116237-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 — — US disclosed
US-8314095-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-20 — — US disclosed
US-20120202790-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 — — US disclosed
EP-2144902-B1 [6,6]AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-05-16 — — EP disclosed
US-8076322-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-13 — — US disclosed
US-20110136783-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-06-09 — — US disclosed
US-7910583-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 — — US disclosed
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 — — 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 (4 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-20110136783-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 ERBB2 723/4885KMT2A 2898/4885WDR5 3427/4885
US-20130116237-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 ERBB2 723/4885KMT2A 2898/4885WDR5 3427/4885
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 ERBB2 723/4885KMT2A 2898/4885WDR5 3427/4885
US-20120202790-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 ERBB2 723/4885KMT2A 2898/4885WDR5 3427/4885

“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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