SCHEMBL12788804

SCHEMBL12788804

Cc1nc2ccc(N(C)c3ccc(F)cc3)cc2c(=O)n1C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ TDO2 P48775 3/20 0.38
▸ IDO2 Q6ZQW0 3/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ DHFR P00374 4/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CASR P41180 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SLC6A3 Q01959 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
SCHEMBL12789849 0.92 DHFR (0.36) POLBMEN1KMT2ADHFR
SCHEMBL12788941 0.90 CASR (0.38) POLBTDO2IDO2IDO1MEN1
SCHEMBL12789454 0.90 POLB (0.40) POLBTDO2IDO2IDO1MEN1
SCHEMBL12789456 0.90 POLB (0.40) POLBTDO2IDO2IDO1MEN1
SCHEMBL12789455 0.90 POLB (0.40) POLBTDO2IDO2IDO1MEN1
SCHEMBL12788998 0.89 POLB (0.39) POLBTDO2IDO2IDO1MEN1
SCHEMBL12846926 0.89 POLB (0.39) POLBTDO2IDO2IDO1MEN1
SCHEMBL12788940 0.89 POLB (0.41) POLBTDO2IDO2IDO1MEN1
SCHEMBL12789040 0.88 POLB (0.39) POLBTDO2IDO2IDO1MEN1
SCHEMBL12789495 0.88 POLB (0.39) POLBTDO2IDO2IDO1MEN1

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 POLB 4577/4885TDO2 2425/4885IDO2 1839/4885

“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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