Sugi Predict

Sugi Predict / Compounds / SCHEMBL3986727

SCHEMBL3986727

SCHEMBL3986727

CC(C)Cn1c(-c2ccc(F)cc2Cl)c(Cl)nc(-n2cccn2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 2/20 0.38
▸ SHMT2 P34897 1/20 0.36
▸ PER2 O15055 1/20 0.35
▸ CRY1 Q16526 1/20 0.35
▸ CRY2 Q49AN0 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C8 P10632 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ F2RL1 P55085 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL4745803 0.83 KCNH2 (0.35) USP1PER2CRY1CRY2KCNH2
SCHEMBL4488011 0.82 SHMT2 (0.38) SHMT2L3MBTL1LMNATHRBSMN1; SMN2
SCHEMBL3986451 0.82 JAK2 (0.36) L3MBTL1NPSR1KDM5BLMNASMN1; SMN2
SCHEMBL4876832 0.76 MAPK13 (0.33) MAPTHTTLMNASMN1; SMN2WDR5
SCHEMBL4489281 0.74 KCNH2 (0.34) USP1KCNH2CYP2C8CYP2C9HTT
SCHEMBL4292669 0.73 SMN1; SMN2 (0.33) L3MBTL1SMN1; SMN2ALDH1A1ADORA3GRM2
SCHEMBL4745295 0.72 KDM4E (0.32) ADORA3
SCHEMBL13788905 0.72 SMN1; SMN2 (0.38) MAPTHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL4501834 0.72 ALDH1A1 (0.38) L3MBTL1NPSR1KDM5BSMN1; SMN2ALDH1A1
SCHEMBL3989599 0.71 JAK2 (0.39) CYP1A2CYP2C9L3MBTL1NPSR1KDM5B

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-20080194585-A1 Fungicidal Pyrazine Derivatives SHARPE PAULA LOUISE 2008-08-14 — — US claimed
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors E.I. DUPONT DE NEMOURS AND COMPANY (US) 2009-07-23 — — US disclosed
EP-2034993-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-18 — — EP disclosed
US-20080194585-A1 Fungicidal Pyrazine Derivatives SHARPE PAULA LOUISE 2008-08-14 — — US disclosed
WO-2007149448-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-12-27 — — WO disclosed
EP-1848711-A1 FUNGICIDAL PYRAZINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-31 — — EP disclosed
WO-2006089060-A1 FUNGICIDAL PYRAZINE DERIVATIVES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-08-24 — — 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 (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-20080194585-A1 Fungicidal Pyrazine Derivatives CBR3, CBR1, NR0B1 USP1 3910/4885SHMT2 3913/4885PER2 3309/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 USP1 3550/4885SHMT2 3644/4885PER2 4041/4885

“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.