SCHEMBL259493

SCHEMBL259493

CC(=O)Oc1ccc2nc(C3CCCCC3)[nH]c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 1/20 0.56
TUBA1A Q71U36 1/20 0.56
TUBA1C Q9BQE3 1/20 0.56
TUBB6 Q9BUF5 1/20 0.56
TUBB2B Q9BVA1 1/20 0.56
TUBB1 Q9H4B7 1/20 0.56
ROCK2 O75116 3/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PARG Q86W56 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL259536 0.85 KDM4E (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29499041 0.79 NPC1 (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29499001 0.77 NPC1 (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17786499 0.76 KDM4E (0.64) ROCK2CYP2D6CYP2C9PARGNPC1
SCHEMBL29499017 0.76 ROCK2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25151723 0.76 ROCK2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29499003 0.76 ROCK2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25151752 0.76 ROCK2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29499007 0.76 ROCK2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16577536 0.75 ROCK2 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 10 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-20100137585-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-20100137584-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 TUBB4A 1401/4885TUBB 1491/4885TUBA3C 1328/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A TUBB4A 1401/4885TUBB 1491/4885TUBA3C 1328/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TUBB4A 1401/4885TUBB 1491/4885TUBA3C 1328/4885

“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.