Sugi Predict

Sugi Predict / Compounds / SCHEMBL5165088

SCHEMBL5165088

SCHEMBL5165088

Nc1nc(-c2cc(CC3CCCC3)ccc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 9/20 0.37
▸ CHUK O15111 1/20 0.37
▸ CDK1 P06493 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ BMPR1A P36894 2/20 0.34
▸ ACVRL1 P37023 2/20 0.34
▸ ACVR1 Q04771 2/20 0.34
▸ 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
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ EED O75530 1/20 0.32
▸ ABL1 P00519 2/20 0.32
▸ EGFR P00533 2/20 0.32
▸ SRC P12931 2/20 0.32
▸ ABL2 P42684 2/20 0.32
▸ BACE1 P56817 2/20 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
SCHEMBL5166841 0.99 IKBKB (0.37) IKBKBCHUKCDK1CDK2BMPR1A
SCHEMBL5167120 0.98 IKBKB (0.37) IKBKBCHUKCDK1CDK2BMPR1A
SCHEMBL5165787 0.97 IKBKB (0.38) IKBKBCHUKCDK1CDK2BMPR1A
SCHEMBL5163758 0.86 IKBKB (0.41) IKBKBCHUKCDK1CDK2HTR3E
SCHEMBL5167012 0.86 IKBKB (0.45) IKBKBCHUKCDK1CDK2BMPR1A
SCHEMBL5166945 0.85 IKBKB (0.41) IKBKBCHUKCDK1CDK2BMPR1A
SCHEMBL5166209 0.84 IKBKB (0.42) IKBKBCHUKCDK1CDK2BMPR1A
SCHEMBL5165242 0.84 IKBKB (0.43) IKBKBCHUKCDK1CDK2BMPR1A
SCHEMBL5165118 0.84 IKBKB (0.40) IKBKBCHUKCDK1CDK2BMPR1A
SCHEMBL5164982 0.84 IKBKB (0.40) IKBKBCHUKCDK1CDK2BMPR1A

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.