SCHEMBL2599783

SCHEMBL2599783

O=Cc1cn(C2CC2)c2c(Br)cccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
PIM1 P11309 10/20 0.35
PIM3 Q86V86 10/20 0.35
ALDH1A1 P00352 4/20 0.35
IMPDH2 P12268 1/20 0.35
PIM2 Q9P1W9 2/20 0.35
CYP2A6 P11509 1/20 0.33
CYP1B1 Q16678 2/20 0.32
PRPS1 P60891 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2599750 0.82 ALDH1A1 (0.39) PARP1PIM1PIM3ALDH1A1IMPDH2
SCHEMBL12182211 0.82 TRIM24 (0.40) PARP1PIM1PIM3ALDH1A1IMPDH2
SCHEMBL2599738 0.81 PARP1 (0.37) PARP1PIM1PIM3ALDH1A1IMPDH2
SCHEMBL671667 0.79 CYP2A6 (0.40) PIM1PIM3ALDH1A1IMPDH2PIM2
SCHEMBL22955077 0.74 ALDH1A1 (0.39) PARP1PIM1PIM3ALDH1A1IMPDH2
SCHEMBL2599810 0.72 ALDH1A1 (0.40) PARP1PIM1PIM3ALDH1A1IMPDH2
SCHEMBL2599812 0.71 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL10236175 0.70 ALDH1A1 (0.43) ALDH1A1LMNA
SCHEMBL2599820 0.70 CYP2A6 (0.40) PIM1PIM3ALDH1A1IMPDH2CYP2A6
SCHEMBL1786483 0.69 KDM4E (0.52) PIM1PIM3ALDH1A1IMPDH2PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 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-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 PARP1 3607/4885PIM1 3849/4885PIM3 3857/4885

“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.