SCHEMBL12847303

SCHEMBL12847303

Bc1ccc2nc(C)n(C(c3ccccc3)c3ccccn3)c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL12846921 0.88 KDM4E (0.39) SMN1; SMN2ALDH1A1CYP1A2KDM4EMEN1
SCHEMBL12788840 0.87 KMT2A (0.44) BRD4SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL12789870 0.81 CHRM2 (0.35) BRD4NPSR1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL12789107 0.81 CYP2D6 (0.43) —
SCHEMBL12788843 0.80 POLB (0.38) BRD4SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL12846928 0.80 KDM4E (0.41) SMN1; SMN2ALDH1A1CYP1A2KDM4EMEN1
SCHEMBL12847381 0.78 POLB (0.47) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12846924 0.78 KDM4E (0.37) SMN1; SMN2ALDH1A1CYP1A2KDM4EMEN1
SCHEMBL12846922 0.76 MEN1 (0.39) SMN1; SMN2SLC6A2SLC6A4ALDH1A1CYP1A2
SCHEMBL12788312 0.74 KDM4E (0.50) SMN1; SMN2ALDH1A1CYP1A2KDM4EMEN1

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 2 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

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 BRD4 563/4885NPSR1 179/4885SMN1; SMN2 4114/4885

“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