SCHEMBL12788893

SCHEMBL12788893

Cc1nc2ccc(N(C)c3cc(F)cc(F)c3)cc2c(=O)n1C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.39
▸ IDO2 Q6ZQW0 2/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ DHFR P00374 3/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ LMNA P02545 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
SCHEMBL12789892 0.95 POLB (0.38) TDO2IDO2IDO1POLBL3MBTL1
SCHEMBL12788757 0.93 ABCG2 (0.42) TDO2IDO2IDO1POLBL3MBTL1
SCHEMBL12788595 0.92 POLB (0.43) TDO2IDO2IDO1POLBL3MBTL1
SCHEMBL12788806 0.91 POLB (0.42) TDO2IDO2IDO1POLBL3MBTL1
SCHEMBL12788546 0.90 ALDH1A1 (0.37) TDO2IDO2IDO1POLBMEN1
SCHEMBL12788703 0.89 L3MBTL1 (0.38) TDO2IDO2IDO1POLBL3MBTL1
SCHEMBL12789851 0.89 POLB (0.45) TDO2IDO2IDO1POLBL3MBTL1
SCHEMBL12788875 0.88 L3MBTL1 (0.38) TDO2IDO2IDO1POLBL3MBTL1
SCHEMBL12788643 0.88 ALDH1A1 (0.37) TDO2IDO2IDO1POLBALDH1A1
SCHEMBL12788784 0.88 POLB (0.44) TDO2IDO2IDO1POLBL3MBTL1

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 TDO2 2425/4885IDO2 1839/4885IDO1 1580/4885

“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.

Send feedback