SCHEMBL1468488

SCHEMBL1468488

COCCCn1c(NC(=O)c2cccc(OC)c2)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 1.00
▸ ITK Q08881 5/20 0.59
▸ EHMT2 Q96KQ7 2/20 0.56
▸ MMP13 P45452 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ EHMT1 Q9H9B1 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ KMT2A Q03164 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
SCHEMBL1470097 0.97 ADORA2A (0.93) ADORA2AITKEHMT2MMP13TP53
SCHEMBL1467942 0.94 ADORA2A (1.00) ADORA2AITK
SCHEMBL1468370 0.94 ADORA2A (1.00) ADORA2AITKEHMT2MMP13TP53
SCHEMBL1468015 0.94 ADORA2A (1.00) ADORA2AITKEHMT2MMP13TP53
SCHEMBL8231257 0.94 ADORA2A (0.89) ADORA2AITKEHMT2MMP13TP53
SCHEMBL1468397 0.93 ADORA2A (1.00) ADORA2AITK
SCHEMBL12744869 0.93 ADORA2A (0.86) ADORA2AITKEHMT2MMP13TP53
SCHEMBL1468352 0.91 ADORA2A (0.83) ADORA2AITKEHMT2TP53MEN1
SCHEMBL1468300 0.90 ADORA2A (1.00) ADORA2AITKEHMT2MMP13TP53
SCHEMBL1468329 0.80 ADORA2A (0.89) ADORA2AITK

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-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 — — US disclosed
US-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 — — US disclosed
US-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 — — US disclosed
WO-2007133983-A2 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-11-22 — — 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-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ITK 3370/4885EHMT2 1703/4885

“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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