SCHEMBL12788445

SCHEMBL12788445

Cc1nc2ccc(N(C)C)cc2c(=O)n1C(c1ccccc1)c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ IDO2 Q6ZQW0 1/20 0.43
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPD P32754 2/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PMM2 O15305 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ PHOSPHO1 Q8TCT1 1/20 0.34
▸ PSMB5 P28074 1/20 0.34

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
SCHEMBL12788332 0.89 PDE3B (0.46) IDO1TDO2IDO2PDE3BPDE3A
SCHEMBL12788529 0.83 TDO2 (0.52) IDO1TDO2IDO2PDE3BPDE3A
SCHEMBL12788430 0.83 ALDH1A1 (0.40) IDO1TDO2IDO2PDE3BPDE3A
SCHEMBL12788703 0.82 L3MBTL1 (0.38) IDO1TDO2IDO2PDE3BPDE3A
SCHEMBL12788757 0.81 ABCG2 (0.42) IDO1TDO2IDO2ALDH1A1MAPK1
SCHEMBL12788596 0.81 ALOX12 (0.41) IDO1TDO2IDO2PDE3BPDE3A
SCHEMBL12788875 0.81 L3MBTL1 (0.38) IDO1TDO2IDO2ALDH1A1MAPK1
SCHEMBL12788384 0.81 ALDH1A1 (0.46) PDE3BPDE3AALDH1A1MAPK1RAB9A
SCHEMBL12788595 0.81 POLB (0.43) IDO1TDO2IDO2ALDH1A1MAPK1
SCHEMBL12847202 0.80 ALDH1A1 (0.37) IDO1TDO2IDO2PDE3BPDE3A

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 4 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
WO-2009143049-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS SCHERING CORPORATION (US) 2009-11-26 — — WO 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 IDO1 1580/4885TDO2 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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