Sugi Predict

Sugi Predict / Compounds / SCHEMBL5164040

SCHEMBL5164040

SCHEMBL5164040

Nc1nc(-c2cc(C3CCCCN3)ccc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 5/20 0.41
▸ CHUK O15111 1/20 0.37
▸ CDK1 P06493 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ PARP1 P09874 10/20 0.33
▸ PARP2 Q9UGN5 4/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ MAP4K2 Q12851 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ MINK1 Q8N4C8 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ MAP4K5 Q9Y4K4 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL5164214 0.98 IKBKB (0.38) IKBKBCHUKCDK1CDK2PARP1
SCHEMBL5165948 0.92 IKBKB (0.37) IKBKBCHUKCDK1CDK2PARP1
SCHEMBL5166938 0.89 CDK1 (0.38) IKBKBCHUKCDK1CDK2PARP1
SCHEMBL5165242 0.89 IKBKB (0.43) IKBKBCHUKCDK1CDK2HTR3E
SCHEMBL5167597 0.88 IKBKB (0.42) IKBKBCHUKCDK1CDK2HTR3E
SCHEMBL5168195 0.88 IKBKB (0.42) IKBKBCHUKCDK1CDK2HTR3E
SCHEMBL5166223 0.88 IKBKB (0.46) IKBKBCHUKCDK1CDK2PARP1
SCHEMBL5165640 0.88 IKBKB (0.37) IKBKBCHUKCDK1CDK2PARP1
SCHEMBL5164224 0.87 IKBKB (0.41) IKBKBCHUKCDK1CDK2HTR3E
SCHEMBL5163764 0.87 IKBKB (0.43) IKBKBCHUKCDK1CDK2HTR3E

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-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
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 IKBKB 15/4885CHUK 3/4885CDK1 242/4885

“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.