SCHEMBL731202

SCHEMBL731202

[c]1ccn2c(-c3ccccc3)ncc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.62
ALDH1A1 P00352 9/20 0.62
MAPT P10636 6/20 0.62
LIMK1 P53667 2/20 0.62
MAPK14 Q16539 2/20 0.62
CHEK1 O14757 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
RAB9A P51151 5/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 5/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK8 P45983 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL11534549 0.77 KDM4E (1.00) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL10095082 0.72 KDM4E (0.66) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL19514193 0.70 KDR (0.57) CHEK1DYRK1BFYNPRKACAKDR
SCHEMBL2364325 0.68 ALDH1A1 (0.54) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL2363783 0.67 KDM4E (0.57) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL13266511 0.67 KDM4E (0.57) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL13325866 0.66 ALDH1A1 (0.77) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL948580 0.66 KDM4E (0.77) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL2364420 0.65 KDM4E (0.54) KDM4EALDH1A1MAPTLIMK1MAPK14
SCHEMBL23547232 0.65 KDM4E (0.50) KDM4EALDH1A1MAPTLIMK1MAPK14

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 KDM4E 3445/4885ALDH1A1 113/4885MAPT 4484/4885

“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.