SCHEMBL10073869

SCHEMBL10073869

COCn1nc(C(=O)c2ccc(N(C)C)nc2)c2ccc(OC)cc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.36
RXFP1 Q9HBX9 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PDE10A Q9Y233 1/20 0.34
APP P05067 1/20 0.34
PTGER4 P35408 2/20 0.34
SPR P35270 1/20 0.34
CBX7 O95931 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 1/20 0.34
CDY1; CDY1B Q9Y6F8 1/20 0.34
MAPK8 P45983 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
SCHEMBL10074859 0.87 SSTR5 (0.41) DYRK1ARXFP1PDE10AAPPPTGER4
SCHEMBL14614754 0.74 RECQL (0.36) DYRK1APTGER4SPR
SCHEMBL13955156 0.74 PTGS1 (0.34) DYRK1ARXFP1PDE10APTGER4SPR
SCHEMBL3913134 0.74 SSTR5 (0.42) DYRK1ARXFP1PDE10APTGER4SPR
SCHEMBL10073866 0.73 SSTR5 (0.43) DYRK1ARXFP1PDE10ASPR
SCHEMBL13794680 0.73 SSTR5 (0.43) DYRK1ARXFP1PDE10APTGER4SPR
SCHEMBL13936254 0.73 ALDH1A1 (0.35)
SCHEMBL10074047 0.73 SSTR5 (0.42) DYRK1ARXFP1PTGER4SPR
SCHEMBL5001501 0.72 SSTR5 (0.41) DYRK1ARXFP1PDE10APTGER4SPR
SCHEMBL13936243 0.72 L3MBTL1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562909-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK SHARP & DOHME (US) 2012-06-27 EP disclosed
US-7547720-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-06-16 US disclosed
US-7547720-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-06-16 US disclosed
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-06-07 US disclosed
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-06-07 US disclosed
US-7196082-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2007-03-27 US disclosed
US-7196082-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2007-03-27 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-20070129418-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 DYRK1A 4545/4885RXFP1 627/4885HTR2A 2530/4885

“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.