SCHEMBL259561

SCHEMBL259561

CC(=O)Oc1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.55
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ MMP2 P08253 4/20 0.53
▸ MMP9 P14780 4/20 0.53
▸ MMP8 P22894 4/20 0.53
▸ MMP13 P45452 4/20 0.53
▸ TUBB4A P04350 1/20 0.53
▸ TUBB P07437 1/20 0.53
▸ TUBA3C P0DPH7 1/20 0.53
▸ TUBA1B P68363 1/20 0.53
▸ TUBA4A P68366 1/20 0.53
▸ TUBB4B P68371 1/20 0.53
▸ TUBB3 Q13509 1/20 0.53
▸ TUBB2A Q13885 1/20 0.53
▸ TUBB8 Q3ZCM7 1/20 0.53
▸ TUBA3E Q6PEY2 1/20 0.53
▸ TUBA1A Q71U36 1/20 0.53
▸ TUBA1C Q9BQE3 1/20 0.53
▸ TUBB6 Q9BUF5 1/20 0.53

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
SCHEMBL259566 0.84 TNKS (0.66) CHEK2HDAC8HDAC6MMP2MMP9
SCHEMBL259533 0.83 CHEK2 (0.61) CHEK2HDAC8HDAC6MMP2MMP9
SCHEMBL259275 0.80 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL259556 0.79 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2244178 0.79 HPSE (0.78) MMP2MMP9MMP8MMP13HPSE
SCHEMBL259554 0.78 TNKS (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15689510 0.78 TNKS (0.71) HDAC8HDAC6TNKSNPC1RAB9A
SCHEMBL259270 0.78 TNKS (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL259545 0.77 TNKS (0.59) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL17254841 0.76 TNKS (0.64) CHEK2TUBB4ATUBBTUBA3CTUBA1B

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-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-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.

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