SCHEMBL12788852

SCHEMBL12788852

Cc1nc2cc(C(=O)N(C)CC(C)C)ccc2c(=O)n1C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 4/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NAMPT P43490 1/20 0.37

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
SCHEMBL12788856 0.88 MAPT (0.53) MAPTPOLBMEN1ALDH1A1HTT
SCHEMBL12788859 0.85 L3MBTL1 (0.55) ITKMAPTPOLBL3MBTL1MEN1
SCHEMBL12788836 0.81 ALOX15 (0.45) MAPTPOLBL3MBTL1MEN1ALDH1A1
SCHEMBL12788833 0.77 MAPT (0.47) MAPTPOLBMEN1ALDH1A1LMNA
SCHEMBL12788384 0.76 ALDH1A1 (0.46) MAPTPOLBL3MBTL1ALDH1A1LMNA
SCHEMBL12789549 0.76 KDM4E (0.39) MAPTPOLBMEN1ALDH1A1LMNA
SCHEMBL12788663 0.75 ALDH1A1 (0.48) MAPTPOLBL3MBTL1ALDH1A1LMNA
SCHEMBL12789552 0.74 KDM4E (0.46) POLBL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL12788734 0.74 ALDH1A1 (0.39) POLBL3MBTL1MEN1ALDH1A1LMNA
SCHEMBL12846928 0.73 KDM4E (0.41) MAPTPOLBL3MBTL1MEN1ALDH1A1

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-2297117-B1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME (US) 2012-10-31 — — EP disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — US disclosed
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 ITK 4328/4885CCNE1 2476/4885CDK2 1556/4885

“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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