SCHEMBL6869554

SCHEMBL6869554

COc1ccc(N2C[C@@H]3C[C@H]2CO3)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.40
MAP3K12 Q12852 8/20 0.40
SOS1 Q07889 2/20 0.39
LRRK2 Q5S007 1/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL6869557 1.00 PTK2 (0.40) PTK2MAP3K12SOS1LRRK2TUBB4A
SCHEMBL2060572 0.90 PTK2 (0.42) PTK2MAP3K12SOS1LRRK2ALDH1A1
SCHEMBL31525796 0.82 PKM (0.40) PTK2SOS1LRRK2ALDH1A1IDH1
SCHEMBL22652055 0.80 SOS1 (0.43) MAP3K12SOS1MTORPIK3CA
SCHEMBL7045734 0.79 PTK2 (0.36) PTK2MAP3K12SOS1LRRK2IDH1
SCHEMBL6878299 0.79 PTK2 (0.40) PTK2SOS1LRRK2ALDH1A1IDH1
SCHEMBL6878306 0.79 PTK2 (0.40) PTK2SOS1LRRK2ALDH1A1IDH1
SCHEMBL7045737 0.79 PTK2 (0.36) PTK2MAP3K12SOS1LRRK2IDH1
SCHEMBL6878303 0.77 IDH1 (0.37) PTK2LRRK2IDH1KCNQ3KCNQ2
SCHEMBL30900450 0.76 BRAF (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713499-B2 ADENOSINE RECEPTOR AGONIST HOFFMAN-LA ROCHE INC. 2004-03-30 US disclosed
US-20030153566-A1 7-Amino-benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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 (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-20030153566-A1 7-Amino-benzothiazole derivatives ADORA1, ADORA2A, ADORA3 PTK2 3126/4885MAP3K12 3754/4885SOS1 4160/4885

“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.