Sugi Predict

Sugi Predict / Compounds / SCHEMBL259533

SCHEMBL259533

SCHEMBL259533

O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(O)cc3c(=O)[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.61
▸ HDAC8 Q9BY41 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ HPSE Q9Y251 2/20 0.57
▸ TNKS O95271 3/20 0.56
▸ GUSB P08236 1/20 0.56
▸ PARP1 P09874 1/20 0.56
▸ TNKS2 Q9H2K2 1/20 0.56
▸ MMP2 P08253 5/20 0.56
▸ MMP9 P14780 5/20 0.56
▸ MMP8 P22894 5/20 0.56
▸ MMP13 P45452 5/20 0.56
▸ PRSS12 P56730 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ THRB P10828 1/20 0.51

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
SCHEMBL259561 0.83 CHEK2 (0.55) CHEK2HDAC8HDAC6HPSETNKS
SCHEMBL13298758 0.80 TNKS (0.72) HDAC8HDAC6TNKSGUSBPARP1
SCHEMBL20660580 0.77 TNKS (0.61) HDAC8HDAC6HPSETNKSGUSB
SCHEMBL8770277 0.76 CHEK2 (0.76) CHEK2HDAC8HDAC6HPSEMMP2
SCHEMBL6643875 0.76 CHEK2 (1.00) CHEK2HPSEMMP2MMP9MMP8
SCHEMBL259526 0.76 TNKS (0.59) HDAC8HDAC6TNKSGUSBPARP1
SCHEMBL8768340 0.75 MMP2 (0.77) CHEK2HPSEMMP2MMP9MMP8
SCHEMBL14381542 0.75 MMP2 (0.77) CHEK2HPSEMMP2MMP9MMP8
SCHEMBL3919993 0.75 HPSE (0.71) CHEK2HPSEMMP2MMP9MMP8
SCHEMBL32682864 0.74 TNKS (0.64) HDAC8HDAC6HPSETNKSPARP1

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-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 — — US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 — — US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 — — US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 — — US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 — — US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 — — US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 — — US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 — — US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 — — 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A CHEK2 139/4885HDAC8 521/4885HDAC6 191/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A CHEK2 139/4885HDAC8 521/4885HDAC6 191/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A CHEK2 139/4885HDAC8 521/4885HDAC6 191/4885

“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.