SCHEMBL4482636

SCHEMBL4482636

[CH]n1ccnc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
CHEK1 O14757 2/20 0.41
LIMK1 P53667 2/20 0.41
MAPK14 Q16539 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDR P35968 11/20 0.41
PRKACA P17612 2/20 0.40
CDK8 P49336 2/20 0.40
MAP2K1 Q02750 2/20 0.40
ACVR1 Q04771 2/20 0.40
ROCK1 Q13464 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
KMT2A Q03164 2/20 0.40
MAP4K4 O95819 1/20 0.40
CSF1R P07333 1/20 0.40
MAP4K2 Q12851 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL5192672 0.77 ESR1 (0.49) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL5324352 0.74 ESR1 (0.46) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL18419722 0.74 ESR1 (0.46) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL28038136 0.74 ESR1 (0.46) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL6440778 0.74 KMT2A (0.50) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL1263722 0.74 ESR1 (0.50) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL19065614 0.74 ESR1 (0.46) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL5533567 0.74 ESR1 (0.46) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL786747 0.74 HDAC4 (0.52) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL5921550 0.72 HDAC4 (0.51) ESR1CHEK1LIMK1MAPK14KDM4E

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
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP disclosed
US-20060063765-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-03-23 US disclosed
EP-1487828-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082861-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 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-20060063765-A1 Novel compounds CCR3, NSUN3, CCR1 ESR1 2656/4885CHEK1 836/4885LIMK1 1923/4885

“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.