SCHEMBL12789552

SCHEMBL12789552

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 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
SCHEMBL12788312 0.90 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL12788663 0.88 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10SMN1; SMN2POLB
SCHEMBL12788398 0.85 LMNA (0.45) KDM4EALDH1A1HSD17B10POLBCYP1A2
SCHEMBL12846928 0.85 KDM4E (0.41) KDM4EALDH1A1HSD17B10SMN1; SMN2POLB
SCHEMBL12788750 0.85 CTSD (0.41) KDM4EALDH1A1HSD17B10SMN1; SMN2POLB
SCHEMBL12788497 0.83 SMN1; SMN2 (0.51) KDM4EALDH1A1SMN1; SMN2POLBCYP1A2
SCHEMBL12788384 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10POLBCYP1A2
SCHEMBL12788540 0.82 KMT2A (0.43) KDM4EALDH1A1POLBCYP1A2LMNA
SCHEMBL12788560 0.82 CTSD (0.45) KDM4EALDH1A1SMN1; SMN2CYP1A2LMNA
SCHEMBL12788734 0.81 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10SMN1; SMN2POLB

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 KDM4E 3477/4885ALDH1A1 833/4885HPGD 777/4885

“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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