SCHEMBL693496

SCHEMBL693496

Cc1cc(N2CCc3ncccc3C2)nc(N2CCCC2)c1NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 6/20 0.44
HDAC6 Q9UBN7 1/20 0.42
SLC2A1 P11166 1/20 0.38
MAPT P10636 3/20 0.35
GRIN2D O15399 3/20 0.35
GRIN3B O60391 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
GRIN2B Q13224 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN3A Q8TCU5 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL30795656 1.00 KCNQ2 (0.44) KCNQ2HDAC6SLC2A1MAPTGRIN2D
SCHEMBL30794388 0.92 HDAC6 (0.40) KCNQ2HDAC6MAPTGRIN2DGRIN3B
SCHEMBL2680190 0.92 HDAC6 (0.40) KCNQ2HDAC6MAPTGRIN2DGRIN3B
SCHEMBL2679488 0.90 HDAC6 (0.39) KCNQ2HDAC6MAPTGRIN2DGRIN3B
SCHEMBL30794946 0.90 HDAC6 (0.39) KCNQ2HDAC6MAPTGRIN2DGRIN3B
SCHEMBL694023 0.85 KCNQ2 (0.62) KCNQ2HDAC6KCNQ3
SCHEMBL30794396 0.85 KCNQ2 (0.62) KCNQ2HDAC6KCNQ3
SCHEMBL693254 0.83 MAPT (0.49) KCNQ2HDAC6MAPT
SCHEMBL30795574 0.83 MAPT (0.49) KCNQ2HDAC6MAPT
SCHEMBL2679556 0.78 KCNQ2 (0.40) KCNQ2HDAC6GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US claimed
EP-2421863-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch AS (DK) 2012-02-29 EP claimed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
EP-2421863-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch AS (DK) 2012-02-29 EP disclosed
WO-2010122064-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-10-28 WO disclosed
WO-2010122064-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-10-28 WO 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-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE KCNQ1, KCNQ2, KCNQ5 KCNQ2 2/4885HDAC6 1621/4885SLC2A1 2085/4885

“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.