SCHEMBL6874897

SCHEMBL6874897

COc1ccc(N(C)CC2CCOCC2)c2sc(N)nc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 4/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CSF1R P07333 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ ADORA2A P29274 8/20 0.36
▸ ADORA1 P30542 7/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6873739 0.83 CYP3A4 (0.39) CYP3A4TDP1ALDH1A1ADORA2AADORA1
SCHEMBL6877296 0.77 ADORA2B (0.65) ADORA2AADORA1ADORA2B
SCHEMBL6876424 0.76 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1ADORA2AADORA1
SCHEMBL5713537 0.76 ADORA2B (0.44) CRHR1CYP3A4TDP1ALDH1A1ADORA2A
SCHEMBL5035963 0.76 CYP3A4 (0.46) CYP3A4TDP1ALDH1A1ADORA2AADORA1
SCHEMBL4128905 0.71 ALDH1A1 (0.61) CYP3A4TDP1ALDH1A1MAPTTSHR
SCHEMBL26515762 0.70 CRHR1 (0.42) CRHR1CSF1R
SCHEMBL6870169 0.69 CSF1R (0.41) CRHR1CYP3A4CSF1RALDH1A1MAPT
SCHEMBL6867678 0.69 ADORA2B (0.59) CYP3A4TDP1ADORA2AADORA1ADORA2B
SCHEMBL2824784 0.69 ADORA2A (0.59) ADORA2AADORA1ADORA2B

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
EP-1456188-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 — — EP disclosed
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
WO-2003053946-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-07-03 — — 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-20030153566-A1 7-Amino-benzothiazole derivatives ADORA1, ADORA2A, ADORA3 CRHR1 223/4885CYP3A4 954/4885TDP1 2594/4885

“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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