SCHEMBL16536772

SCHEMBL16536772

COc1ccc(Cn2nc(N(C)C)c3cc(Br)cnc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 10/20 0.53
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ NPBWR1 P48145 3/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MCHR1 Q99705 1/20 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
SCHEMBL1592906 0.84 PDE1B (0.55) PDE1BCNR1CNR2NPBWR1PDE5A
SCHEMBL2966796 0.84 PDE1B (0.55) PDE1BCNR1CNR2PDE5AALDH1A1
SCHEMBL1585706 0.83 PDE1B (0.57) PDE1BCNR1CNR2NPBWR1PDE5A
SCHEMBL15999430 0.83 PDE1B (0.54) PDE1BCNR1CNR2PDE5AALDH1A1
SCHEMBL1593021 0.83 PDE1B (0.54) PDE1BCNR1CNR2NPBWR1PDE5A
SCHEMBL1592961 0.81 PDE1B (0.53) PDE1BCNR1CNR2NPBWR1PDE5A
SCHEMBL16536339 0.80 PDE1B (0.51) PDE1BCNR1CNR2NPBWR1PDE5A
SCHEMBL23069164 0.79 PDE1B (0.50) PDE1BCNR1CNR2NPBWR1PDE5A
SCHEMBL29872865 0.79 PDE1B (0.50) PDE1BCNR1CNR2NPBWR1PDE5A
SCHEMBL27193455 0.76 PDE1B (0.47) PDE1BCNR1CNR2PDE5AALDH1A1

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-9725465-B2 Biaryl acetamide compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-08 — — US disclosed
EP-3039021-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2016-07-06 — — EP disclosed
US-20150065468-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-03-05 — — US disclosed
WO-2015031613-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-03-05 — — 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-20150065468-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF ERBB2, ERBB3, AADAC PDE1B 1222/4885CNR1 980/4885CNR2 435/4885

“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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