SCHEMBL3546604

SCHEMBL3546604

Fc1cccc(-c2nccn2Cc2nc3cccnc3n2C2=CC=C2)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
PABPC1 P11940 1/20 0.34
PDE10A Q9Y233 5/20 0.34
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
PDE4B Q07343 4/20 0.32
PDE4D Q08499 4/20 0.32
AKT1 P31749 3/20 0.32
AKT2 P31751 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3059903 0.82 PDE10A (0.35) MEN1KMT2APOLBPABPC1PDE10A
SCHEMBL3070588 0.81 TP53 (0.38) MEN1KMT2APOLBPABPC1PDE10A
SCHEMBL3546602 0.79 TP53 (0.43) POLBTSHRPDE4BPDE4DTP53
SCHEMBL3060364 0.79 TP53 (0.44) POLBPDE10APDE4BPDE4DTP53
SCHEMBL3062225 0.79 HDAC1 (0.35) TP53LMNAMAPT
SCHEMBL3069659 0.79 TP53 (0.45) MEN1KMT2APOLBPABPC1PDE10A
SCHEMBL3065428 0.78 HTR1A (0.35) TP53LMNAMAPT
SCHEMBL3065436 0.78 TP53 (0.40) POLBTP53LMNAMAPT
SCHEMBL3064428 0.77 CYP3A4 (0.36) POLBPDE4BPDE4DTP53LMNA
SCHEMBL3068443 0.76 HTT (0.40) POLBPDE10ATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US claimed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 US disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 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-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 MEN1 3395/4885KMT2A 1769/4885POLB 3712/4885

“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.