SCHEMBL5772540

SCHEMBL5772540

COc1cc(N)c(C#N)c(C2CCOCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.39
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
IKBKB O14920 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
ADORA1 P30542 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
ENPP2 Q13822 1/20 0.32
GCK P35557 1/20 0.32
NSD2 O96028 1/20 0.32

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
SCHEMBL5778419 0.90 MAPKAPK2 (0.40) MAPKAPK2MAPK8MAPK9IKBKBALDH1A1
SCHEMBL5774696 0.87 IKBKB (0.41) MAPKAPK2IKBKBALDH1A1HPGDKDM4E
SCHEMBL5776551 0.86 IKBKB (0.40) MAPKAPK2MAPK8MAPK9IKBKBALDH1A1
SCHEMBL5778854 0.83 CSF1R (0.33) IKBKBALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5776006 0.78 CFTR (0.40) MAPKAPK2IKBKBALDH1A1HPGDKDM4E
SCHEMBL5775046 0.72 TRPV4 (0.35) IKBKBALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5773407 0.70 IKBKB (0.36) IKBKBALDH1A1TSHR
SCHEMBL15647191 0.69 ALDH1A1 (0.46) MAPKAPK2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5776290 0.69 PTGDR2 (0.39) IKBKBALDH1A1TSHRMEN1LMNA
SCHEMBL19174845 0.68 OPRL1 (0.38) ALDH1A1HPGDTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 MAPKAPK2 4313/4885MAPK8 2862/4885MAPK9 3144/4885

“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.