SCHEMBL731417

SCHEMBL731417

[c]1cc(-c2ccccc2)cc(-c2nnn[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.37
SCN4A P35499 1/20 0.32
FGFR1 P11362 1/20 0.30
DYRK3 O43781 1/20 0.30
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30
CLK3 P49761 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
DYRK1A Q13627 1/20 0.30
CDK5R1 Q15078 1/20 0.30
DYRK2 Q92630 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 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
SCHEMBL4655029 0.82 GP6 (0.49) GP6FGFR1DYRK3CLK1CLK2
Water SCHEMBL7382263 0.82 NR1H2 (0.42) SCN4APOLBRAB9ANR1H2NR1H3
SCHEMBL6505461 0.80 NR1H2 (0.41) GP6FGFR1DYRK3CLK1CLK2
SCHEMBL4950 0.80 NR1H2 (0.43) SCN4APOLBRAB9ANR1H2NR1H3
Bromide SCHEMBL27863912 0.78 NR1H2 (0.39) GP6FGFR1DYRK3CLK1CLK2
Bromide SCHEMBL8589844 0.78 NR1H2 (0.42) SCN4APOLBRAB9ANR1H2NR1H3
SCHEMBL12761250 0.78 GP6 (0.37) GP6POLBRAB9AALDH1A1
SCHEMBL22498864 0.78 NR1H2 (0.42) SCN4APOLBRAB9ANR1H2NR1H3
SCHEMBL10635278 0.78 NR1H2 (0.42) SCN4APOLBRAB9ANR1H2NR1H3
SCHEMBL3962514 0.78 NR1H2 (0.42) SCN4APOLBRAB9ANR1H2NR1H3

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
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 GP6 3664/4885SCN4A 2085/4885FGFR1 774/4885

“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.