SCHEMBL6288602

SCHEMBL6288602

CCC(CC)c1nc(C)c2c(Oc3cc(OC)c(OC)c(OC)c3)nc(-c3ccc(OC)c(Cl)c3)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 6/20 0.38
TUBB P07437 6/20 0.38
TUBA3C P0DPH7 6/20 0.38
TUBA1B P68363 6/20 0.38
TUBA4A P68366 6/20 0.38
TUBB4B P68371 6/20 0.38
TUBB3 Q13509 6/20 0.38
TUBB2A Q13885 6/20 0.38
TUBB8 Q3ZCM7 6/20 0.38
TUBA3E Q6PEY2 6/20 0.38
TUBA1A Q71U36 6/20 0.38
TUBA1C Q9BQE3 6/20 0.38
TUBB6 Q9BUF5 6/20 0.38
TUBB2B Q9BVA1 6/20 0.38
TUBB1 Q9H4B7 6/20 0.38
KCNH2 Q12809 1/20 0.33
MAPT P10636 2/20 0.33
PDE4B Q07343 1/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL6288651 0.93 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6291362 0.92 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6291387 0.89 LMNA (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6291396 0.86 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6291413 0.84 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6288411 0.84 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6288627 0.81 LMNA (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6286598 0.78 ALDH1A1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6287177 0.78 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6288529 0.78 TUBB4A (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936609-B2 Imidazotriazines for use as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2005-08-30 US disclosed
US-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2004-12-09 US disclosed
EP-1404677-A1 IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
WO-2003000693-A1 IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS BAYER HEALTHCARE AG (DE) 2003-01-03 WO 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-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors PDE3A, PDE2A, PDE4A TUBB4A 2362/4885TUBB 2554/4885TUBA3C 2174/4885

“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.