SCHEMBL12846987

SCHEMBL12846987

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ IDO2 Q6ZQW0 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 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
SCHEMBL12788546 0.92 ALDH1A1 (0.37) RAB9AALDH1A1MAPK1MEN1KMT2A
SCHEMBL12788643 0.90 ALDH1A1 (0.37) RAB9AALDH1A1MAPK1POLBKDM4E
SCHEMBL12788595 0.88 POLB (0.43) RAB9AALDH1A1MAPK1MEN1KMT2A
SCHEMBL12846989 0.88 ALDH1A1 (0.35) RAB9AALDH1A1MAPK1MEN1KMT2A
SCHEMBL12788865 0.88 KDM4C (0.36) RAB9AALDH1A1MAPK1KDM4EIDO1
SCHEMBL12788639 0.88 KDM4E (0.42) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL12847300 0.88 GFER (0.38) RAB9AALDH1A1MAPK1MEN1KMT2A
SCHEMBL12846974 0.87 MEN1 (0.38) RAB9AMAPK1MEN1KMT2APOLB
SCHEMBL12788621 0.87 KDM4C (0.38) RAB9AALDH1A1MAPK1IDO1TDO2
SCHEMBL12788806 0.87 POLB (0.42) RAB9AALDH1A1MAPK1MEN1KMT2A

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 RAB9A 1094/4885ALDH1A1 833/4885MAPK1 1023/4885

“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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