SCHEMBL2541696

SCHEMBL2541696

N#Cc1nn(-c2ccc(Br)cc2F)c(=O)cc1OC1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 2/20 0.35
▸ CHEK1 O14757 2/20 0.35
▸ GPR6 P46095 2/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ PROKR1 Q8TCW9 1/20 0.35
▸ SLC6A2 P23975 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ KHK P50053 1/20 0.34
▸ AR P10275 2/20 0.34
▸ MAP3K5 Q99683 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ ALK Q9UM73 1/20 0.33

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
Hydrochloric Acid SCHEMBL2540003 0.99 TIPARP (0.35) TIPARPCHEK1GPR6CTSSCTSK
SCHEMBL2545667 0.85 GPR6 (0.38) GPR6FPR2PROKR1
SCHEMBL2543578 0.82 AR (0.36) CHEK1CTSSCTSKSLC6A2HTR1A
Hydrochloric Acid SCHEMBL2546750 0.82 AR (0.36) CHEK1CTSSCTSKSLC6A2HTR1A
SCHEMBL2543078 0.81 GPR119 (0.51) GPR6
SCHEMBL14693057 0.81 GPR119 (0.43) GPR6FPR2PROKR1
SCHEMBL2541926 0.81 GPR119 (0.46) GPR6TBK1
SCHEMBL2538658 0.79 KDM1A (0.41) CHEK1TBK1ARMAP3K5ALK
Hydrochloric Acid SCHEMBL2546008 0.78 KDM1A (0.41) CHEK1TBK1ARMAP3K5ALK
SCHEMBL14237714 0.77 GPR6 (0.36) GPR6FPR2PROKR1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 — — US disclosed
US-8372837-B2 Pyridone and pyridazone analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 — — US disclosed
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP disclosed
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP disclosed
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 — — US disclosed
WO-2010009183-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 — — 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-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 TIPARP 2614/4885CHEK1 3049/4885GPR6 7/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 TIPARP 2764/4885CHEK1 3030/4885GPR6 7/4885

“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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