SCHEMBL12847203

SCHEMBL12847203

Cc1nc2ccc(N=O)cc2c(=O)n1C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TUBB4A P04350 2/20 0.34
▸ TUBB P07437 2/20 0.34
▸ TUBA3C P0DPH7 2/20 0.34
▸ TUBA1B P68363 2/20 0.34
▸ TUBA4A P68366 2/20 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
SCHEMBL12846922 0.85 MEN1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL12788809 0.84 KMT2A (0.45) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL12788356 0.84 KDM4E (0.49) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL12846974 0.83 MEN1 (0.38) MEN1KMT2APOLBKDM4EMCL1
SCHEMBL12788348 0.82 PDE3B (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL12847376 0.81 KMT2A (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL12789340 0.81 MEN1 (0.55) MEN1KMT2APOLBNPC1
SCHEMBL12789849 0.79 DHFR (0.36) MEN1KMT2APOLB
SCHEMBL12788804 0.77 POLB (0.39) MEN1KMT2APOLBKDM4EL3MBTL1
SCHEMBL12788535 0.74 ACSS2 (0.44) MEN1KMT2APOLBKDM4EMAPT

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 MEN1 3069/4885KMT2A 3444/4885CYP1A2 755/4885

“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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