SCHEMBL4511486

SCHEMBL4511486

Cc1nn(C(C)(C)C)c(N)c1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 12/20 0.54
SRC P12931 3/20 0.49
LCK P06239 1/20 0.44
KDR P35968 1/20 0.44
TGFBR1 P36897 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.41
PDPK1 O15530 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL22286223 0.85 HPGD (0.47) RIPK2SRCLCKKDRTGFBR1
SCHEMBL18867444 0.85 HPGD (0.44) RIPK2SRCLCKKDRTGFBR1
SCHEMBL18282701 0.82 RIPK2 (0.39) RIPK2SRCLCKKDRTGFBR1
SCHEMBL22286138 0.80 MAPK1 (0.53) SRCHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL7318206 0.77 RIPK2 (0.47) RIPK2SRCLCKKDRTGFBR1
SCHEMBL10374185 0.76 RIPK2 (0.37) RIPK2SRCLCKKDRTGFBR1
SCHEMBL8357880 0.75 RIPK2 (0.72) RIPK2SRCLCKKDRTGFBR1
SCHEMBL2192189 0.75 KDM4E (0.47) RIPK2KDRHPGDPDPK1ALDH1A1
SCHEMBL4261283 0.73 RIPK2 (0.70) RIPK2SRCLCKKDRTGFBR1
SCHEMBL8308306 0.73 RIPK2 (0.74) RIPK2SRCLCKKDRTGFBR1

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
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO disclosed
US-5977118-A 6-substituted pyrazolo[3,4-d]pyrimidin-4-ones and compositions and methods of use thereof SANOFI (FR) 1999-11-02 US disclosed
EP-0813527-A4 6-SUBSTITUTED PYRAZOLO 3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-09-09 EP disclosed
EP-0813527-A1 6-SUBSTITUTED PYRAZOLO 3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI PHARMACEUTICALS, INC. (US) 1997-12-29 EP disclosed
US-5656629-A CYCLIC GUANOSINE MONOPHSPHATE-PHOSPHODIESTERASE INHIBITOR; USEFUL FOR TREATING HEART FAILURE AND/OR HYPERTENSION SANOFI WINTHROP, INC. (US) 1997-08-12 US disclosed
WO-1996028429-A1 6-SUBSTITUTED PYRAZOLO [3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B RIPK2 1101/4885SRC 4653/4885LCK 4536/4885

“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.