SCHEMBL12846924

SCHEMBL12846924

Bc1ccc2nc(C)n(C(c3ccccc3)C(C)C)c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 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
SCHEMBL12846921 0.86 KDM4E (0.39) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL12789450 0.85 KMT2A (0.48) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL12846922 0.81 MEN1 (0.39) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12789878 0.79 PDE3B (0.35) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL12847303 0.78 BRD4 (0.37) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12788882 0.78 POLB (0.41) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12846928 0.77 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL13564442 0.76 KDM4E (0.40) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL13564427 0.76 KMT2A (0.47) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12847381 0.75 POLB (0.47) KDM4EMEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — 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 (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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 KDM4E 3477/4885MEN1 3069/4885KMT2A 3444/4885

“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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