SCHEMBL1301085

SCHEMBL1301085

CCOC(=O)c1c[nH]c2cnc(Cc3cccc(Cl)c3)nc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.50
▸ GABRB2 P47870 3/20 0.50
▸ GABRB1 P18505 2/20 0.50
▸ GABRA3 P34903 2/20 0.50
▸ PDE3B Q13370 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ MAOB P27338 2/20 0.43
▸ ALOX5 P09917 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CLEC4M Q9H2X3 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1300703 0.86 HTR2C (0.43) GABRA1GABRB2GABRB1GABRA3SMN1; SMN2
SCHEMBL17338625 0.78 GABRA1 (0.80) GABRA1GABRB2GABRB1GABRA3PDE3B
SCHEMBL10006709 0.77 MAPT (0.53) PDE3BPDE3AMAPTMAPK1KMT2A
SCHEMBL10007036 0.72 PDE3B (0.64) PDE3BPDE3AMAPTMAPK1KMT2A
SCHEMBL10260712 0.70 CYP1A2 (0.45) PDE3BPDE3AMAPTMAPK1KMT2A
SCHEMBL6389885 0.69 GABRA1 (0.54) GABRA1GABRB2GABRB1GABRA3KMT2A
SCHEMBL1366633 0.69 GABRA1 (0.74) GABRA1GABRB2GABRB1GABRA3KMT2A
SCHEMBL1665282 0.69 GABRA1 (0.56) GABRA1GABRB2GABRB1GABRA3KMT2A
SCHEMBL30906939 0.69 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3KMT2A
SCHEMBL30418194 0.69 GABRA1 (0.74) GABRA1GABRB2GABRB1GABRA3KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — 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 (2 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP GABRA1 4262/4885GABRB2 4363/4885GABRB1 4236/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP GABRA1 4262/4885GABRB2 4363/4885GABRB1 4236/4885

“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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