SCHEMBL5582984

SCHEMBL5582984

CCOC(=O)c1n[nH]c2c1CCCc1c-2[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.61
RIPK1 Q13546 2/20 0.61
AURKA O14965 2/20 0.61
KDM4E B2RXH2 6/20 0.58
POLB P06746 1/20 0.51
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HSD17B10 Q99714 3/20 0.48
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NR1H4 Q96RI1 1/20 0.46
KDR P35968 2/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.45
ADORA3 P0DMS8 1/20 0.45
RAB9A P51151 2/20 0.44
HCRTR1 O43613 1/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 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
SCHEMBL6070660 0.90 KDM4E (0.62) MAPK10RIPK1AURKAKDM4EPOLB
SCHEMBL6071395 0.76 AURKA (0.50) MAPK10RIPK1AURKAKDM4EPOLB
SCHEMBL3503658 0.76 BRD4 (0.50) KDM4EPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL6070942 0.76 AURKA (1.00) MAPK10RIPK1AURKAKDM4EMAPT
Hydrochloric Acid SCHEMBL6070901 0.75 AURKA (0.49) MAPK10RIPK1AURKAKDM4EPOLB
SCHEMBL959364 0.75 KDM4E (1.00) MAPK10KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL29709972 0.75 KDM4E (1.00) MAPK10KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL12499437 0.74 KDM4E (0.48) KDM4EPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL6376821 0.74 AURKA (0.60) MAPK10RIPK1AURKAKDM4EPOLB
SCHEMBL5079536 0.72 HCAR2 (0.58) KDM4EPOLBMAPTSMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 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 (2 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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 MAPK10 387/4885RIPK1 131/4885AURKA 249/4885
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 MAPK10 1222/4885RIPK1 702/4885AURKA 680/4885

“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.