Sugi Predict

Sugi Predict / Compounds / SCHEMBL86738

SCHEMBL86738

SCHEMBL86738

COc1cc2c(cc1OC)C1=NCCN1C(/C=C(\O)c1ccc(C#N)cc1)=N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 4/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ MAPK7 Q13164 1/20 0.35
▸ PTAFR P25105 2/20 0.35
▸ FASN P49327 2/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ MAOB P27338 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ THRB P10828 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
SCHEMBL86502 0.88 PTAFR (0.43) HDAC8HDAC4PTAFRKDM4EALDH1A1
SCHEMBL15119791 0.87 SLC6A2 (0.39) HDAC8HDAC4HDAC6PTAFRKDM4E
SCHEMBL86636 0.82 HDAC8 (0.34) HDAC8HDAC4PTAFRKDM4EALDH1A1
SCHEMBL86919 0.81 HDAC4 (0.38) HDAC8HDAC4HDAC7HDAC6HDAC5
SCHEMBL81928 0.80 POLB (0.38) PTAFRKDM4EALDH1A1MAPTHPGD
SCHEMBL82378 0.80 POLB (0.38) PTAFRKDM4EALDH1A1MAPTHPGD
SCHEMBL81629 0.79 KMT2A (0.37) HDAC8HDAC4PTAFRKDM4EALDH1A1
SCHEMBL86811 0.78 PTAFR (0.38) HDAC8HDAC4PTAFRKDM4EALDH1A1
SCHEMBL86633 0.78 HCAR3 (0.37) HDAC8HDAC4HDAC1PTAFRKDM4E
SCHEMBL86415 0.77 HCAR3 (0.33) HDAC8HDAC4PTAFRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 — — US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 — — US disclosed
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 — — EP disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 — — US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 — — US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 — — EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 — — US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 — — US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 — — 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 HDAC8 2721/4885HDAC4 1978/4885HDAC7 1919/4885

“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.