SCHEMBL12789902

SCHEMBL12789902

Cc1nc2ccc(N(C)CCC(C)(F)F)cc2c(=O)n1C(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 3/20 0.36
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ IDO2 Q6ZQW0 1/20 0.33
▸ IP6K1 Q92551 1/20 0.33
▸ NTSR1 P30989 8/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ PDE4D Q08499 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12788909 0.93 DHFR (0.36) DHFRIDO1TDO2IDO2IP6K1
SCHEMBL12788945 0.89 DHFR (0.35) DHFRIDO1TDO2IDO2IP6K1
SCHEMBL12788906 0.86 NTSR1 (0.40) DHFRIP6K1NTSR1ALDH1A1MAPK1
SCHEMBL12789818 0.85 DHFR (0.32) DHFR
SCHEMBL12788508 0.85 DHFR (0.41) DHFRIP6K1ALDH1A1MAPK1RAB9A
SCHEMBL12846932 0.84 DHFR (0.39) DHFRIDO1TDO2IDO2IP6K1
SCHEMBL12788544 0.84 DHFR (0.41) DHFRIP6K1
SCHEMBL12789648 0.83 DHFR (0.35) DHFRIDO1TDO2IDO2IP6K1
SCHEMBL13564458 0.83 DHFR (0.39) DHFRIDO1TDO2IDO2IP6K1
SCHEMBL12788953 0.83 NAMPT (0.38) DHFRIDO1TDO2IDO2IP6K1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DHFR 3231/4885IDO1 1580/4885TDO2 2425/4885

“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