SCHEMBL5165750

SCHEMBL5165750

Nc1nc(-c2cc(C3CCCO3)ccc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
IKBKB O14920 6/20 0.36
CHUK O15111 1/20 0.36
CDK2 P24941 2/20 0.35
CDK1 P06493 1/20 0.35
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR2B P41595 1/20 0.32
HTR3A P46098 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
KDR P35968 2/20 0.32
TEK Q02763 2/20 0.32
CAMK2D Q13557 1/20 0.32
KCNH2 Q12809 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
SCHEMBL5164264 0.90 IKBKB (0.36) PIM1PIM2IKBKBCHUKCDK2
SCHEMBL5163700 0.88 IKBKB (0.36) IKBKBCHUKCDK2CDK1HTR3E
SCHEMBL5166223 0.87 IKBKB (0.46) IKBKBCHUKCDK2CDK1KCNH2
SCHEMBL5167992 0.87 IKBKB (0.36) IKBKBCHUKCDK2CDK1HTR3E
SCHEMBL5164224 0.86 IKBKB (0.41) IKBKBCHUKCDK2CDK1HTR3E
SCHEMBL5165242 0.86 IKBKB (0.43) IKBKBCHUKCDK2CDK1HTR3E
SCHEMBL5163764 0.86 IKBKB (0.43) IKBKBCHUKCDK2CDK1HTR3E
SCHEMBL5167597 0.85 IKBKB (0.42) IKBKBCHUKCDK2CDK1HTR3E
SCHEMBL5166978 0.85 IKBKB (0.40) IKBKBCHUKCDK2CDK1HTR3E
SCHEMBL5168195 0.85 IKBKB (0.42) IKBKBCHUKCDK2CDK1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US claimed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP claimed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP 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-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation CNKSR1, IL1RN, CHUK PIM1 1099/4885PIM2 1399/4885IKBKB 15/4885

“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.