SCHEMBL12788672

SCHEMBL12788672

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4C Q9H3R0 2/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ DHFR P00374 1/20 0.34
▸ LTC4S Q16873 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 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
SCHEMBL12788721 0.92 KDM4C (0.41) TACR1ALDH1A1KDM4CKDM4EMEN1
SCHEMBL12788546 0.90 ALDH1A1 (0.37) ALDH1A1KDM4CDHFRKDM4EMEN1
SCHEMBL12788625 0.88 DHFR (0.34) TACR1ALDH1A1L3MBTL1KDM4CDHFR
SCHEMBL12788595 0.88 POLB (0.43) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL12788865 0.88 KDM4C (0.36) ALDH1A1KDM4CKDM4ESMN1; SMN2IDO1
SCHEMBL12788643 0.88 ALDH1A1 (0.37) ALDH1A1DHFRKDM4ESMN1; SMN2IDO1
SCHEMBL12788621 0.87 KDM4C (0.38) ALDH1A1KDM4CIDO1TDO2IDO2
SCHEMBL12788806 0.87 POLB (0.42) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL12788494 0.87 IP6K1 (0.41) TACR1MCHR1DHFR
SCHEMBL12789837 0.87 KDM4C (0.35) TACR1ALDH1A1L3MBTL1KDM4CKDM4E

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 TACR1 257/4885ALDH1A1 833/4885L3MBTL1 4270/4885

“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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