SCHEMBL2961568

SCHEMBL2961568

COc1ccc(Cn2ncc3cc(Br)cnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 6/20 0.52
NPBWR1 P48145 8/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MCHR1 Q99705 1/20 0.43
PDE1A P54750 3/20 0.42
PDE1C Q14123 3/20 0.42
MET P08581 2/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL14754800 0.84 ALDH1A1 (0.47) PDE1BNPBWR1ALDH1A1LMNAMAPT
SCHEMBL30844170 0.80 NPBWR1 (0.45) PDE1BNPBWR1ALDH1A1LMNAMAPT
SCHEMBL4789449 0.80 PDE1B (0.46) PDE1BNPBWR1ALDH1A1LMNAMAPT
SCHEMBL530059 0.80 IDO1 (0.47) PDE1BNPBWR1MAPTMCHR1PDE1A
SCHEMBL21796474 0.80 NPBWR1 (0.44) PDE1BNPBWR1ALDH1A1LMNAMAPT
SCHEMBL23210996 0.79 GRIN1 (0.58) PDE1BNPBWR1
SCHEMBL29071647 0.78 NPBWR1 (0.48) PDE1BNPBWR1ALDH1A1LMNAMAPT
SCHEMBL17395029 0.78 NPBWR1 (0.48) PDE1BNPBWR1ALDH1A1LMNAMAPT
SCHEMBL30487302 0.78 NPBWR1 (0.48) PDE1BNPBWR1ALDH1A1LMNAMAPT
SCHEMBL21796592 0.78 CNR2 (0.41) PDE1BNPBWR1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535401-A Novel PARP1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-08-04 CN disclosed
CN-113372342-B Protein degradation targeting chimera and application thereof 暨南大学 2022-11-25 CN disclosed
CN-113372342-A Protein degradation targeting chimera and application thereof 暨南大学 2021-09-10 CN disclosed
US-9725465-B2 Biaryl acetamide compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-08 US disclosed
US-20150065468-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-03-05 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
EP-2183243-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS Pfizer Inc. (US) 2010-05-12 EP disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 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 (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-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS PDE1B 2550/4885NPBWR1 4716/4885ALDH1A1 615/4885
US-20150065468-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF ERBB2, ERBB3, AADAC PDE1B 1222/4885NPBWR1 946/4885ALDH1A1 1370/4885

“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.