Sugi Predict

Sugi Predict / Compounds / SCHEMBL279724

SCHEMBL279724

SCHEMBL279724

CC(C)c1cnc(C(N)=O)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ POLB P06746 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SIRT6 Q8N6T7 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ MC3R P41968 1/20 0.31
▸ FAAH O00519 1/20 0.31

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
SCHEMBL5211473 0.86 KDM4E (0.33) KDM4EALDH1A1POLBL3MBTL1SIRT6
SCHEMBL16160779 0.82 CCNB2 (0.35) KDM4EALDH1A1CCNB2CCNE2CDK1
SCHEMBL5213544 0.77 HCAR3 (0.33) ALDH1A1POLBL3MBTL1
SCHEMBL279423 0.75 — —
SCHEMBL26687319 0.74 NNMT (0.44) KDM4EALDH1A1L3MBTL1FAAHCES1
SCHEMBL5210975 0.73 ACACB (0.32) —
SCHEMBL5245429 0.73 POLB (0.37) KDM4EALDH1A1POLBL3MBTL1FAAH
Hydrochloric Acid SCHEMBL29156127 0.71 FAAH (0.49) KDM4EALDH1A1L3MBTL1SIRT6ADORA3
SCHEMBL5212245 0.71 SIRT6 (0.42) KDM4EALDH1A1SIRT6NNMTP2RX3
SCHEMBL6431513 0.71 CCNB2 (0.36) KDM4EALDH1A1CCNB2CCNE2CDK1

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-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 — — US disclosed
US-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 — — US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 — — US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 — — US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 — — US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 — — US 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-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 KDM4E 3125/4885ALDH1A1 2807/4885CCNB2 1081/4885

“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.